(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide

C19H30N4O2S — CID 97002692

IUPAC(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)s1
InChIInChI=1S/C19H30N4O2S/c1-12-17(26-14(3)20-12)13(2)21-18(24)16-10-7-11-23(16)19(25)22-15-8-5-4-6-9-15/h13,15-16H,4-11H2,1-3H3,(H,21,24)(H,22,25)/t13-,16+/m1/s1
InChIKeyLMQRYUOLOZHCGU-CJNGLKHVSA-N
MW378.54 g/mol
LogP3.44
Rot. Bonds4

About (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 97002692) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID97002692
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)s1
InChIInChI=1S/C19H30N4O2S/c1-12-17(26-14(3)20-12)13(2)21-18(24)16-10-7-11-23(16)19(25)22-15-8-5-4-6-9-15/h13,15-16H,4-11H2,1-3H3,(H,21,24)(H,22,25)/t13-,16+/m1/s1
InChIKeyLMQRYUOLOZHCGU-CJNGLKHVSA-N
XLogP3.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61067652
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
N-cycloheptyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 62575829
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
N-cyclopentyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 61193344
(2S)-1-N-cyclohexyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468475
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 61193687
(2R)-N-cyclohexyl-2-[(cyclopentanecarbonylamino)carbamoyl]pyrrolidine-1-carboxamide
CID 94790588
N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61192769
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide (CID 97002692) is (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide is Cc1nc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)s1.
What is the InChIKey of (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is LMQRYUOLOZHCGU-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-12-17(26-14(3)20-12)13(2)21-18(24)16-10-7-11-23(16)19(25)22-15-8-5-4-6-9-15/h13,15-16H,4-11H2,1-3H3,(H,21,24)(H,22,25)/t13-,16+/m1/s1.
What are the key properties of (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-cyclohexyl-2-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97002692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).