2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

C14H20N4OS — CID 47405033

IUPAC2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cnc(C(C)(C)C)s2)n[nH]1
InChIInChI=1S/C14H20N4OS/c1-8(2)9-6-11(18-17-9)16-12(19)10-7-15-13(20-10)14(3,4)5/h6-8H,1-5H3,(H2,16,17,18,19)
InChIKeyCXORRRATVZTEKP-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.54
Rot. Bonds3

About 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47405033) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID47405033
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cnc(C(C)(C)C)s2)n[nH]1
InChIInChI=1S/C14H20N4OS/c1-8(2)9-6-11(18-17-9)16-12(19)10-7-15-13(20-10)14(3,4)5/h6-8H,1-5H3,(H2,16,17,18,19)
InChIKeyCXORRRATVZTEKP-UHFFFAOYSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 47405033) is 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is CC(C)c1cc(NC(=O)c2cnc(C(C)(C)C)s2)n[nH]1.
What is the InChIKey of 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CXORRRATVZTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8(2)9-6-11(18-17-9)16-12(19)10-7-15-13(20-10)14(3,4)5/h6-8H,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47405033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).