5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C13H13N5S — CID 42645256

IUPAC5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1-c1nc(Nc2ccccn2)sc1C
InChIInChI=1S/C13H13N5S/c1-8-10(7-15-18-8)12-9(2)19-13(17-12)16-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeySRPGAFOTMPKSDP-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.29
Rot. Bonds3

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

5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 42645256) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID42645256
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1-c1nc(Nc2ccccn2)sc1C
InChIInChI=1S/C13H13N5S/c1-8-10(7-15-18-8)12-9(2)19-13(17-12)16-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeySRPGAFOTMPKSDP-UHFFFAOYSA-N
XLogP3.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 42645256) is 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1[nH]ncc1-c1nc(Nc2ccccn2)sc1C.
What is the InChIKey of 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is SRPGAFOTMPKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-10(7-15-18-8)12-9(2)19-13(17-12)16-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 42645256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).