(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

C12H13N5O2S — CID 75467005

IUPAC(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H13N5O2S/c18-8-4-6-17(7-8)12(19)14-11-16-15-10(20-11)9-3-1-2-5-13-9/h1-3,5,8,18H,4,6-7H2,(H,14,16,19)/t8-/m1/s1
InChIKeyNYKYMLIWIFTDNM-MRVPVSSYSA-N
MW291.34 g/mol
LogP1.20
Rot. Bonds2

About (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 75467005) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID75467005
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)s1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H13N5O2S/c18-8-4-6-17(7-8)12(19)14-11-16-15-10(20-11)9-3-1-2-5-13-9/h1-3,5,8,18H,4,6-7H2,(H,14,16,19)/t8-/m1/s1
InChIKeyNYKYMLIWIFTDNM-MRVPVSSYSA-N
XLogP1.20
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 51119005
tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate
CID 47716505
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808851
(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
CID 133442278
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
(2R)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;dihydrochloride
CID 119855707
1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55807336
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 111109533
1-[8-fluoro-5-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133475852

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (CID 75467005) is (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is NYKYMLIWIFTDNM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-8-4-6-17(7-8)12(19)14-11-16-15-10(20-11)9-3-1-2-5-13-9/h1-3,5,8,18H,4,6-7H2,(H,14,16,19)/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 291.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75467005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).