(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide

C18H22N4O3S3 — CID 95154648

IUPAC(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C18H22N4O3S3/c1-11(2)7-19-16(24)13-9-26-10-22(13)15(23)6-12-8-28-18(20-12)21-17(25)14-4-3-5-27-14/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,24)(H,20,21,25)/t13-/m0/s1
InChIKeyVIUPDTAMCAJPCK-ZDUSSCGKSA-N
MW438.60 g/mol
LogP2.67
Rot. Bonds7

About (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95154648) has the molecular formula C18H22N4O3S3 and a molecular weight of 438.60 g/mol. Its IUPAC name is (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95154648
Molecular FormulaC18H22N4O3S3
Molecular Weight438.60 g/mol
Exact Mass438.09
IUPAC Name(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C18H22N4O3S3/c1-11(2)7-19-16(24)13-9-26-10-22(13)15(23)6-12-8-28-18(20-12)21-17(25)14-4-3-5-27-14/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,24)(H,20,21,25)/t13-/m0/s1
InChIKeyVIUPDTAMCAJPCK-ZDUSSCGKSA-N
XLogP2.67
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide 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-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 120507248
(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144843
N-[4-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119487058
N-[4-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55453096
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51191452
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 60609238
N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55441966
N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119444365
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172253
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide (CID 95154648) is (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide is CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cc1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VIUPDTAMCAJPCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O3S3/c1-11(2)7-19-16(24)13-9-26-10-22(13)15(23)6-12-8-28-18(20-12)21-17(25)14-4-3-5-27-14/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,24)(H,20,21,25)/t13-/m0/s1.
What are the key properties of (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95154648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).