5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

C12H17N5OS — CID 170574556

IUPAC5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(N)=O)c(CNc2ccn(C)n2)s1
InChIInChI=1S/C12H17N5OS/c1-7(2)12-15-10(11(13)18)8(19-12)6-14-9-4-5-17(3)16-9/h4-5,7H,6H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyFPMWJTNKEAUANF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.71
Rot. Bonds5

About 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide

5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 170574556) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID170574556
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1nc(C(N)=O)c(CNc2ccn(C)n2)s1
InChIInChI=1S/C12H17N5OS/c1-7(2)12-15-10(11(13)18)8(19-12)6-14-9-4-5-17(3)16-9/h4-5,7H,6H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyFPMWJTNKEAUANF-UHFFFAOYSA-N
XLogP1.71
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 170574556) is 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1nc(C(N)=O)c(CNc2ccn(C)n2)s1.
What is the InChIKey of 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FPMWJTNKEAUANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-7(2)12-15-10(11(13)18)8(19-12)6-14-9-4-5-17(3)16-9/h4-5,7H,6H2,1-3H3,(H2,13,18)(H,14,16).
What are the key properties of 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylpyrazol-3-yl)amino]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 170574556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).