(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

C16H21N5O4S — CID 174386227

IUPAC(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)C(Cc1cscn1)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H21N5O4S/c17-14(23)12-2-1-5-21(12)16(25)11(6-9-7-26-8-18-9)20-15(24)10-3-4-13(22)19-10/h7-8,10-12H,1-6H2,(H2,17,23)(H,19,22)(H,20,24)/t10-,11?,12-/m0/s1
InChIKeyZUVQHTBYUSXXSP-PRWSFJOGSA-N
MW379.44 g/mol
LogP-1.07
Rot. Bonds6

About (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 174386227) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID174386227
Molecular FormulaC16H21N5O4S
Molecular Weight379.44 g/mol
Exact Mass379.13
IUPAC Name(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)C(Cc1cscn1)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C16H21N5O4S/c17-14(23)12-2-1-5-21(12)16(25)11(6-9-7-26-8-18-9)20-15(24)10-3-4-13(22)19-10/h7-8,10-12H,1-6H2,(H2,17,23)(H,19,22)(H,20,24)/t10-,11?,12-/m0/s1
InChIKeyZUVQHTBYUSXXSP-PRWSFJOGSA-N
XLogP-1.07
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

(4S)-5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoate
CID 7408204
acetic acid;(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69031038
1-methoxyethyl 4-[(2S)-3-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propyl]imidazole-1-carboxylate
CID 101137541
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 6453104
(2S)-N-[(2R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-methyl-1-oxohexan-2-yl]-6-oxopiperidine-2-carboxamide
CID 10384280
N-[1-(2-carbamoylpyrrolidin-1-yl)-4-(1,2-dihydroimidazol-3-yl)-1-oxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69257405
(2S)-1-[(2R)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxamide
CID 58843276
N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 20706151
(2R)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 129359877
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-3,4-ditritiopyrrolidine-2-carboxamide
CID 54479081
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 11902898
(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 154742388

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 174386227) is (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)C(Cc1cscn1)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZUVQHTBYUSXXSP-PRWSFJOGSA-N. The full InChI is InChI=1S/C16H21N5O4S/c17-14(23)12-2-1-5-21(12)16(25)11(6-9-7-26-8-18-9)20-15(24)10-3-4-13(22)19-10/h7-8,10-12H,1-6H2,(H2,17,23)(H,19,22)(H,20,24)/t10-,11?,12-/m0/s1.
What are the key properties of (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of -1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 174386227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).