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

C12H13N5OS — CID 124976321

IUPAC(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCN(c2ncccn2)C1
InChIInChI=1S/C12H13N5OS/c18-10(16-12-15-5-7-19-12)9-2-6-17(8-9)11-13-3-1-4-14-11/h1,3-5,7,9H,2,6,8H2,(H,15,16,18)/t9-/m0/s1
InChIKeyLENFQUYJERQLMT-VIFPVBQESA-N
MW275.34 g/mol
LogP1.40
Rot. Bonds3

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

(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 124976321) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID124976321
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)[C@H]1CCN(c2ncccn2)C1
InChIInChI=1S/C12H13N5OS/c18-10(16-12-15-5-7-19-12)9-2-6-17(8-9)11-13-3-1-4-14-11/h1,3-5,7,9H,2,6,8H2,(H,15,16,18)/t9-/m0/s1
InChIKeyLENFQUYJERQLMT-VIFPVBQESA-N
XLogP1.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
1-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90610044
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 8646507
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95985916
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71705168
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 124976321) is (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)[C@H]1CCN(c2ncccn2)C1.
What is the InChIKey of (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is LENFQUYJERQLMT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N5OS/c18-10(16-12-15-5-7-19-12)9-2-6-17(8-9)11-13-3-1-4-14-11/h1,3-5,7,9H,2,6,8H2,(H,15,16,18)/t9-/m0/s1.
What are the key properties of (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124976321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).