4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine

C12H14N4S — CID 103362091

IUPAC4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCCC2)c1-c1cccnc1
InChIInChI=1S/C12H14N4S/c13-11-10(9-4-3-5-14-8-9)12(17-15-11)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2,(H2,13,15)
InChIKeyGAHBIRRZRIKOGP-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.39
Rot. Bonds2

About 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine

4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine (PubChem CID 103362091) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
PubChem CID103362091
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCCC2)c1-c1cccnc1
InChIInChI=1S/C12H14N4S/c13-11-10(9-4-3-5-14-8-9)12(17-15-11)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2,(H2,13,15)
InChIKeyGAHBIRRZRIKOGP-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361611
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103381127
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103363092
1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 103364994
5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103365800
5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363190
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
CID 103379473
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361808
5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360432

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine?
The IUPAC name of 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine (CID 103362091) is 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine.
What is the SMILES notation for 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine?
The canonical SMILES for 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine is Nc1nsc(N2CCCC2)c1-c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine?
The InChIKey is GAHBIRRZRIKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-11-10(9-4-3-5-14-8-9)12(17-15-11)16-6-1-2-7-16/h3-5,8H,1-2,6-7H2,(H2,13,15).
What are the key properties of 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine?
4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine has a molecular weight of 246.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 103362091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).