(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C10H15N3OS — CID 94916867

IUPAC(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2CCNC2)sc1C
InChIInChI=1S/C10H15N3OS/c1-6-7(2)15-10(12-6)13-9(14)8-3-4-11-5-8/h8,11H,3-5H2,1-2H3,(H,12,13,14)/t8-/m1/s1
InChIKeyXHHWQELLRNDCEW-MRVPVSSYSA-N
MW225.32 g/mol
LogP1.31
Rot. Bonds2

About (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 94916867) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID94916867
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1nc(NC(=O)[C@@H]2CCNC2)sc1C
InChIInChI=1S/C10H15N3OS/c1-6-7(2)15-10(12-6)13-9(14)8-3-4-11-5-8/h8,11H,3-5H2,1-2H3,(H,12,13,14)/t8-/m1/s1
InChIKeyXHHWQELLRNDCEW-MRVPVSSYSA-N
XLogP1.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119774699
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 18072655
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119263430
9-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984361
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810827
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119890048
4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18128666
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680812

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 94916867) is (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1nc(NC(=O)[C@@H]2CCNC2)sc1C.
What is the InChIKey of (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is XHHWQELLRNDCEW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-7(2)15-10(12-6)13-9(14)8-3-4-11-5-8/h8,11H,3-5H2,1-2H3,(H,12,13,14)/t8-/m1/s1.
What are the key properties of (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94916867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).