N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide

C27H23F2N7O3S2 — CID 142031964

IUPACN-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3csc(-c4sc(NC(=O)NCCc5cnc[nH]5)nc4C)n3)c(F)cc2F)c1
InChIInChI=1S/C27H23F2N7O3S2/c1-14-23(41-27(33-14)36-26(38)31-7-6-16-11-30-13-32-16)25-35-22(12-40-25)18-9-21(20(29)10-19(18)28)34-24(37)15-4-3-5-17(8-15)39-2/h3-5,8-13H,6-7H2,1-2H3,(H,30,32)(H,34,37)(H2,31,33,36,38)
InChIKeyCBYGDIQBOLLKAZ-UHFFFAOYSA-N
MW595.66 g/mol
LogP5.87
Rot. Bonds9

About N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide

N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide (PubChem CID 142031964) has the molecular formula C27H23F2N7O3S2 and a molecular weight of 595.66 g/mol. Its IUPAC name is N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
PubChem CID142031964
Molecular FormulaC27H23F2N7O3S2
Molecular Weight595.66 g/mol
Exact Mass595.13
IUPAC NameN-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(-c3csc(-c4sc(NC(=O)NCCc5cnc[nH]5)nc4C)n3)c(F)cc2F)c1
InChIInChI=1S/C27H23F2N7O3S2/c1-14-23(41-27(33-14)36-26(38)31-7-6-16-11-30-13-32-16)25-35-22(12-40-25)18-9-21(20(29)10-19(18)28)34-24(37)15-4-3-5-17(8-15)39-2/h3-5,8-13H,6-7H2,1-2H3,(H,30,32)(H,34,37)(H2,31,33,36,38)
InChIKeyCBYGDIQBOLLKAZ-UHFFFAOYSA-N
XLogP5.87
TPSA133.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.66
LogP ≤ 55.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 25232166
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
CID 46899011
3-fluoro-5-methoxy-N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 25232164
3-methoxy-N-(2-(3-(piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 25233064
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-isopropyl-2-[(3-methoxybenzoyl)amino]thiazole-4-carboxamide
CID 3009887
US9732075, Example 5.213
CID 118127558
2,6-difluoro-3-[[5-(1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 46236615
N-[3-(dimethylamino)propyl]-5-isopropyl-2-[[4-[[4-[(3-methoxybenzoyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]thiazole-4-carboxamide
CID 23730712
N-[5-[[5-[(3-amino-3-iminopropyl)amino]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 44435815
3,5-dimethoxy-N-(3-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 40506275
N-(3-(2-methylthiazol-4-yl)phenyl)-3-(pyrimidin-2-yloxy)benzamide
CID 52417106
N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 11950966

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide (CID 142031964) is N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(-c3csc(-c4sc(NC(=O)NCCc5cnc[nH]5)nc4C)n3)c(F)cc2F)c1.
What is the InChIKey of N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The InChIKey is CBYGDIQBOLLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N7O3S2/c1-14-23(41-27(33-14)36-26(38)31-7-6-16-11-30-13-32-16)25-35-22(12-40-25)18-9-21(20(29)10-19(18)28)34-24(37)15-4-3-5-17(8-15)39-2/h3-5,8-13H,6-7H2,1-2H3,(H,30,32)(H,34,37)(H2,31,33,36,38).
What are the key properties of N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide has a molecular weight of 595.66 g/mol, XLogP of 5.87, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-5-[2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 142031964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).