N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide

C24H24N6O5S2 — CID 21358100

IUPACN-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3csc(-c4sc(NC(=O)NCC(O)CO)nc4N)n3)c2)c1
InChIInChI=1S/C24H24N6O5S2/c1-35-17-7-3-5-14(9-17)21(33)27-15-6-2-4-13(8-15)18-12-36-22(28-18)19-20(25)29-24(37-19)30-23(34)26-10-16(32)11-31/h2-9,12,16,31-32H,10-11,25H2,1H3,(H,27,33)(H2,26,29,30,34)
InChIKeyQABRDROTJCIBSW-UHFFFAOYSA-N
MW540.63 g/mol
LogP3.25
Rot. Bonds9

About N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide

N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide (PubChem CID 21358100) has the molecular formula C24H24N6O5S2 and a molecular weight of 540.63 g/mol. Its IUPAC name is N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
PubChem CID21358100
Molecular FormulaC24H24N6O5S2
Molecular Weight540.63 g/mol
Exact Mass540.12
IUPAC NameN-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3csc(-c4sc(NC(=O)NCC(O)CO)nc4N)n3)c2)c1
InChIInChI=1S/C24H24N6O5S2/c1-35-17-7-3-5-14(9-17)21(33)27-15-6-2-4-13(8-15)18-12-36-22(28-18)19-20(25)29-24(37-19)30-23(34)26-10-16(32)11-31/h2-9,12,16,31-32H,10-11,25H2,1H3,(H,27,33)(H2,26,29,30,34)
InChIKeyQABRDROTJCIBSW-UHFFFAOYSA-N
XLogP3.25
TPSA171.72 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 53.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-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

4-[[4-amino-5-[4-[3-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 21357878
N-[3-[2-[4-amino-2-(oxolan-2-ylmethylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 21358402
N-[3-[2-[4-amino-2-(2-morpholin-4-ylethylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 21358123
N-[3-[2-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358305
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358390
N-[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-ethylbenzamide
CID 22993956
N-[3-[2-(2,4-diamino-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 22993961
N-[5-[2-[4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]-2,4-difluorophenyl]-3-methoxybenzamide
CID 21358622
3-[[4-amino-5-[4-[2,4-difluoro-5-[(3-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 21357837
methyl 4-[[3-[2-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]carbamoyl]benzoate
CID 21358073
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 21358360
N-[3-[2-[4-amino-2-(methylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-6-oxopyran-3-carboxamide
CID 21358389

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide (CID 21358100) is N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(-c3csc(-c4sc(NC(=O)NCC(O)CO)nc4N)n3)c2)c1.
What is the InChIKey of N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The InChIKey is QABRDROTJCIBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5S2/c1-35-17-7-3-5-14(9-17)21(33)27-15-6-2-4-13(8-15)18-12-36-22(28-18)19-20(25)29-24(37-19)30-23(34)26-10-16(32)11-31/h2-9,12,16,31-32H,10-11,25H2,1H3,(H,27,33)(H2,26,29,30,34).
What are the key properties of N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide has a molecular weight of 540.63 g/mol, XLogP of 3.25, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-amino-2-(2,3-dihydroxypropylcarbamoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 21358100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).