N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

C12H16N4OS — CID 42110937

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)9-7-18-11(13-9)14-10(17)8-5-6-16(4)15-8/h5-7H,1-4H3,(H,13,14,17)
InChIKeyPNDPMJIQPWPJGD-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.43
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 42110937) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID42110937
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)9-7-18-11(13-9)14-10(17)8-5-6-16(4)15-8/h5-7H,1-4H3,(H,13,14,17)
InChIKeyPNDPMJIQPWPJGD-UHFFFAOYSA-N
XLogP2.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 42110937) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is PNDPMJIQPWPJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)9-7-18-11(13-9)14-10(17)8-5-6-16(4)15-8/h5-7H,1-4H3,(H,13,14,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).