(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide

C20H26N4O2S2 — CID 46385745

IUPAC(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)[C@H]1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C20H26N4O2S2/c25-18(21-12-15-13-28-19(22-15)17-9-5-11-27-17)16-8-4-10-24(16)20(26)23-14-6-2-1-3-7-14/h5,9,11,13-14,16H,1-4,6-8,10,12H2,(H,21,25)(H,23,26)/t16-/m1/s1
InChIKeyANQXYPWNCYCWBV-MRXNPFEDSA-N
MW418.59 g/mol
LogP3.99
Rot. Bonds5

About (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide

(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 46385745) has the molecular formula C20H26N4O2S2 and a molecular weight of 418.59 g/mol. Its IUPAC name is (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID46385745
Molecular FormulaC20H26N4O2S2
Molecular Weight418.59 g/mol
Exact Mass418.15
IUPAC Name(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1csc(-c2cccs2)n1)[C@H]1CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C20H26N4O2S2/c25-18(21-12-15-13-28-19(22-15)17-9-5-11-27-17)16-8-4-10-24(16)20(26)23-14-6-2-1-3-7-14/h5,9,11,13-14,16H,1-4,6-8,10,12H2,(H,21,25)(H,23,26)/t16-/m1/s1
InChIKeyANQXYPWNCYCWBV-MRXNPFEDSA-N
XLogP3.99
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468489
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
1-methylsulfonyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973415
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973647
(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076
(4S)-3-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973635
(2S)-1-N-cyclohexyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468475
(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973637
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide (CID 46385745) is (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1csc(-c2cccs2)n1)[C@H]1CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is ANQXYPWNCYCWBV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2S2/c25-18(21-12-15-13-28-19(22-15)17-9-5-11-27-17)16-8-4-10-24(16)20(26)23-14-6-2-1-3-7-14/h5,9,11,13-14,16H,1-4,6-8,10,12H2,(H,21,25)(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 418.59 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-cyclohexyl-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 46385745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).