3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine

C13H13N5S — CID 65197444

IUPAC3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
SMILESCc1nn(C)cc1-c1csc(-c2cccnc2N)n1
InChIInChI=1S/C13H13N5S/c1-8-10(6-18(2)17-8)11-7-19-13(16-11)9-4-3-5-15-12(9)14/h3-7H,1-2H3,(H2,14,15)
InChIKeyVCTYFMKYQLWNNX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.50
Rot. Bonds2

About 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine

3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine (PubChem CID 65197444) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
PubChem CID65197444
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
SMILESCc1nn(C)cc1-c1csc(-c2cccnc2N)n1
InChIInChI=1S/C13H13N5S/c1-8-10(6-18(2)17-8)11-7-19-13(16-11)9-4-3-5-15-12(9)14/h3-7H,1-2H3,(H2,14,15)
InChIKeyVCTYFMKYQLWNNX-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
CID 65197542
[4-[2-(2-amino-3-pyridinyl)-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495357
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
3-(3-ethyl-1-methylpyrazol-4-yl)pyridin-2-amine
CID 66008698
[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
CID 65194289
1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
CID 65194405
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
4-(1,3-dimethylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558239
3-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-4-phenylpyridin-2-amine
CID 175923537
3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine
CID 90289026
4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 63931625
2-[5-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 83091754

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine?
The IUPAC name of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine (CID 65197444) is 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine is Cc1nn(C)cc1-c1csc(-c2cccnc2N)n1.
What is the InChIKey of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine?
The InChIKey is VCTYFMKYQLWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-10(6-18(2)17-8)11-7-19-13(16-11)9-4-3-5-15-12(9)14/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine?
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 65197444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).