5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide

C15H22N4OS — CID 100670155

IUPAC5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C[C@@H](C)C(C)(C)C)[nH]n2)ns1
InChIInChI=1S/C15H22N4OS/c1-9(15(3,4)5)6-11-8-13(18-17-11)16-14(20)12-7-10(2)21-19-12/h7-9H,6H2,1-5H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyYSNXFFIRFBOLRP-SECBINFHSA-N
MW306.44 g/mol
LogP3.65
Rot. Bonds4

About 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide

5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide (PubChem CID 100670155) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide
PubChem CID100670155
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C[C@@H](C)C(C)(C)C)[nH]n2)ns1
InChIInChI=1S/C15H22N4OS/c1-9(15(3,4)5)6-11-8-13(18-17-11)16-14(20)12-7-10(2)21-19-12/h7-9H,6H2,1-5H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyYSNXFFIRFBOLRP-SECBINFHSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide (CID 100670155) is 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C[C@@H](C)C(C)(C)C)[nH]n2)ns1.
What is the InChIKey of 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide?
The InChIKey is YSNXFFIRFBOLRP-SECBINFHSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(15(3,4)5)6-11-8-13(18-17-11)16-14(20)12-7-10(2)21-19-12/h7-9H,6H2,1-5H3,(H2,16,17,18,20)/t9-/m1/s1.
What are the key properties of 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide?
5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 100670155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).