(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H20N4O3S — CID 39337801

IUPAC(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)sc1C
InChIInChI=1S/C18H20N4O3S/c1-11-12(2)26-18(20-11)21-15(23)9-19-17(25)13-8-16(24)22(10-13)14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3,(H,19,25)(H,20,21,23)/t13-/m1/s1
InChIKeyKEYCXNPDTTXBIF-CYBMUJFWSA-N
MW372.45 g/mol
LogP1.87
Rot. Bonds5

About (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39337801) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID39337801
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)sc1C
InChIInChI=1S/C18H20N4O3S/c1-11-12(2)26-18(20-11)21-15(23)9-19-17(25)13-8-16(24)22(10-13)14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3,(H,19,25)(H,20,21,23)/t13-/m1/s1
InChIKeyKEYCXNPDTTXBIF-CYBMUJFWSA-N
XLogP1.87
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39044150
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16549286
(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39352253
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39341801
(3S)-5-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39044737
(3R)-1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39041149
1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 42654346
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16549275
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1088299

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 39337801) is (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1nc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)sc1C.
What is the InChIKey of (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is KEYCXNPDTTXBIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11-12(2)26-18(20-11)21-15(23)9-19-17(25)13-8-16(24)22(10-13)14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3,(H,19,25)(H,20,21,23)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39337801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).