(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C12H14N4OS2 — CID 51936972

IUPAC(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CCCN2c2nccs2)s1
InChIInChI=1S/C12H14N4OS2/c1-8-7-14-11(19-8)15-10(17)9-3-2-5-16(9)12-13-4-6-18-12/h4,6-7,9H,2-3,5H2,1H3,(H,14,15,17)/t9-/m0/s1
InChIKeySAKDYXBMGRPBGV-VIFPVBQESA-N
MW294.41 g/mol
LogP2.52
Rot. Bonds3

About (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 51936972) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID51936972
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CCCN2c2nccs2)s1
InChIInChI=1S/C12H14N4OS2/c1-8-7-14-11(19-8)15-10(17)9-3-2-5-16(9)12-13-4-6-18-12/h4,6-7,9H,2-3,5H2,1H3,(H,14,15,17)/t9-/m0/s1
InChIKeySAKDYXBMGRPBGV-VIFPVBQESA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 155950021
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822162
(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95620247
methyl 4-methyl-3-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]benzoate
CID 42891704
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
CID 47259825
2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate
CID 174952449
(2R)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94829105
(2S)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95342420
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46517734
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 51936972) is (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is Cc1cnc(NC(=O)[C@@H]2CCCN2c2nccs2)s1.
What is the InChIKey of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is SAKDYXBMGRPBGV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-8-7-14-11(19-8)15-10(17)9-3-2-5-16(9)12-13-4-6-18-12/h4,6-7,9H,2-3,5H2,1H3,(H,14,15,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 294.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51936972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).