(2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

C17H24N4O3S — CID 42590173

IUPAC(2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCC1CCCCC1
InChIInChI=1S/C17H24N4O3S/c22-14-7-6-13(20-14)16(24)21-17-19-12(10-25-17)8-15(23)18-9-11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H,18,23)(H,20,22)(H,19,21,24)/t13-/m0/s1
InChIKeyMIFDASRDWMBQIV-ZDUSSCGKSA-N
MW364.47 g/mol
LogP1.60
Rot. Bonds6

About (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 42590173) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID42590173
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name(2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCC1CCCCC1
InChIInChI=1S/C17H24N4O3S/c22-14-7-6-13(20-14)16(24)21-17-19-12(10-25-17)8-15(23)18-9-11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H,18,23)(H,20,22)(H,19,21,24)/t13-/m0/s1
InChIKeyMIFDASRDWMBQIV-ZDUSSCGKSA-N
XLogP1.60
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 42590173) is (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is O=C(Cc1csc(NC(=O)[C@@H]2CCC(=O)N2)n1)NCC1CCCCC1.
What is the InChIKey of (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MIFDASRDWMBQIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3S/c22-14-7-6-13(20-14)16(24)21-17-19-12(10-25-17)8-15(23)18-9-11-4-2-1-3-5-11/h10-11,13H,1-9H2,(H,18,23)(H,20,22)(H,19,21,24)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 42590173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).