4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

C13H13N5S — CID 118759605

IUPAC4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(Cc2ccncc2)n1
InChIInChI=1S/C13H13N5S/c1-9-12(19-13(14)16-9)11-4-7-18(17-11)8-10-2-5-15-6-3-10/h2-7H,8H2,1H3,(H2,14,16)
InChIKeyOQUMRAZLPUAMEL-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.34
Rot. Bonds3

About 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 118759605) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID118759605
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccn(Cc2ccncc2)n1
InChIInChI=1S/C13H13N5S/c1-9-12(19-13(14)16-9)11-4-7-18(17-11)8-10-2-5-15-6-3-10/h2-7H,8H2,1H3,(H2,14,16)
InChIKeyOQUMRAZLPUAMEL-UHFFFAOYSA-N
XLogP2.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Adx88178
CID 46836872
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
mGluR4-PAM-1
CID 46836562
6-Phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothiazol-2-amine
CID 712700
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 3157523
4-(3-Pyridinyl)-2-thiazolamine
CID 154893
Isonicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9572803
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
3-[(Z)-[2-(4-Methyl-1,3-thiazol-2-YL)hydrazin-1-ylidene]methyl]pyridine
CID 5473672
4-(1,5-Dimethyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485377
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 118759605) is 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccn(Cc2ccncc2)n1.
What is the InChIKey of 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is OQUMRAZLPUAMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-9-12(19-13(14)16-9)11-4-7-18(17-11)8-10-2-5-15-6-3-10/h2-7H,8H2,1H3,(H2,14,16).
What are the key properties of 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118759605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).