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

C15H22N4OS — CID 50962766

IUPAC2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cs1
InChIInChI=1S/C15H22N4OS/c1-9(2)19(15(20)14-8-21-12(5)16-14)7-13-10(3)17-18(6)11(13)4/h8-9H,7H2,1-6H3
InChIKeyADJLPXAEPSJUGY-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.85
Rot. Bonds4

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

2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 50962766) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID50962766
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cs1
InChIInChI=1S/C15H22N4OS/c1-9(2)19(15(20)14-8-21-12(5)16-14)7-13-10(3)17-18(6)11(13)4/h8-9H,7H2,1-6H3
InChIKeyADJLPXAEPSJUGY-UHFFFAOYSA-N
XLogP2.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 56779825
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 72044129
(2-Methyl-1,3-thiazol-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72044195
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143522
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 75358483
2-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid hydroxyamide
CID 86703091
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 50962766) is 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(Cc2c(C)nn(C)c2C)C(C)C)cs1.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ADJLPXAEPSJUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)19(15(20)14-8-21-12(5)16-14)7-13-10(3)17-18(6)11(13)4/h8-9H,7H2,1-6H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50962766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).