N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide

C20H18F2N4O3S — CID 16897958

IUPACN-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1nc(C)c(C(=O)NCc2c(F)cccc2F)s1
InChIInChI=1S/C20H18F2N4O3S/c1-11-17(18(27)23-10-12-13(21)6-5-7-14(12)22)30-20(24-11)26-19(28)25-15-8-3-4-9-16(15)29-2/h3-9H,10H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyQSJGMQVTUVCKED-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.31
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide

N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16897958) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16897958
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)Nc1nc(C)c(C(=O)NCc2c(F)cccc2F)s1
InChIInChI=1S/C20H18F2N4O3S/c1-11-17(18(27)23-10-12-13(21)6-5-7-14(12)22)30-20(24-11)26-19(28)25-15-8-3-4-9-16(15)29-2/h3-9H,10H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyQSJGMQVTUVCKED-UHFFFAOYSA-N
XLogP4.31
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897898
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897941
N-(2,5-dimethylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897931
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
2-(benzylamino)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152845
1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16897842
N-[(4-bromophenyl)methyl]-2-(2-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 11989668
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42537612
2-(2-methoxyanilino)-4-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11989670
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897039
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16897958) is N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1NC(=O)Nc1nc(C)c(C(=O)NCc2c(F)cccc2F)s1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QSJGMQVTUVCKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c1-11-17(18(27)23-10-12-13(21)6-5-7-14(12)22)30-20(24-11)26-19(28)25-15-8-3-4-9-16(15)29-2/h3-9H,10H2,1-2H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).