2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine

C13H12N6S — CID 53327921

IUPAC2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine
SMILESc1cnc(Nc2csc(-c3cn[nH]c3C3CC3)n2)nc1
InChIInChI=1S/C13H12N6S/c1-4-14-13(15-5-1)18-10-7-20-12(17-10)9-6-16-19-11(9)8-2-3-8/h1,4-8H,2-3H2,(H,16,19)(H,14,15,18)
InChIKeyALLKPASAFXEGCP-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.94
Rot. Bonds4

About 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine

2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine (PubChem CID 53327921) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine
PubChem CID53327921
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine
SMILESc1cnc(Nc2csc(-c3cn[nH]c3C3CC3)n2)nc1
InChIInChI=1S/C13H12N6S/c1-4-14-13(15-5-1)18-10-7-20-12(17-10)9-6-16-19-11(9)8-2-3-8/h1,4-8H,2-3H2,(H,16,19)(H,14,15,18)
InChIKeyALLKPASAFXEGCP-UHFFFAOYSA-N
XLogP2.94
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 176550416
5-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
CID 169092433
4-(5-cyclopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 42635126
5-chloro-2-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine
CID 169092540
N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]methanesulfonamide
CID 44591768
2-bromo-3-(5-cyclopropyl-1H-pyrazol-4-yl)quinoxaline
CID 175468510
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide
CID 167767825
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 46836788
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(1,5-naphthyridin-2-yl)urea
CID 167913870
5-cyclopropyl-4-(3-methylimidazol-4-yl)-1H-pyrazole
CID 169229238

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine?
The IUPAC name of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine (CID 53327921) is 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine?
The canonical SMILES for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine is c1cnc(Nc2csc(-c3cn[nH]c3C3CC3)n2)nc1.
What is the InChIKey of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine?
The InChIKey is ALLKPASAFXEGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-4-14-13(15-5-1)18-10-7-20-12(17-10)9-6-16-19-11(9)8-2-3-8/h1,4-8H,2-3H2,(H,16,19)(H,14,15,18).
What are the key properties of 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine?
2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine has a molecular weight of 284.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 53327921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).