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

C12H16N4OS — CID 35524868

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)9-7-18-11(14-9)15-10(17)8-5-13-16(4)6-8/h5-7H,1-4H3,(H,14,15,17)
InChIKeyXQHSFQVBTJZZFQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.43
Rot. Bonds2

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 35524868) 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-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID35524868
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)9-7-18-11(14-9)15-10(17)8-5-13-16(4)6-8/h5-7H,1-4H3,(H,14,15,17)
InChIKeyXQHSFQVBTJZZFQ-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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Related Compounds

5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(4-methylthiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 136081194
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-isopropyl-1H-pyrazole-4-carboxamide
CID 70741951
1-tert-butyl-6-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136258226
3-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 16882080
N-(4-(tert-butyl)thiazol-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 42110937
N-(4-(tert-butyl)thiazol-2-yl)-1,4-dimethyl-1H-pyrazole-5-carboxamide
CID 45531101
1-(4-ethyl-1,3-thiazol-2-yl)-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 177679578
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35747581
3-(1-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 47298927
5-methyl-1-propyl-N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 72920176
1,5-dimethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 75445495
1-ethyl-N-(5-propyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 84596472

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 35524868) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is XQHSFQVBTJZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)9-7-18-11(14-9)15-10(17)8-5-13-16(4)6-8/h5-7H,1-4H3,(H,14,15,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-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-4-carboxamide is sourced from PubChem (CID 35524868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).