2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C15H22N4OS — CID 42793534

IUPAC2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2nccn2C)CC(C)C)s1
InChIInChI=1S/C15H22N4OS/c1-10(2)8-19(9-13-16-6-7-18(13)5)15(20)14-11(3)17-12(4)21-14/h6-7,10H,8-9H2,1-5H3
InChIKeyFYLAYLWBBCKLMO-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.79
Rot. Bonds5

About 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 42793534) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID42793534
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2nccn2C)CC(C)C)s1
InChIInChI=1S/C15H22N4OS/c1-10(2)8-19(9-13-16-6-7-18(13)5)15(20)14-11(3)17-12(4)21-14/h6-7,10H,8-9H2,1-5H3
InChIKeyFYLAYLWBBCKLMO-UHFFFAOYSA-N
XLogP2.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,4-trimethyl-2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxamide
CID 6465558
2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 10345392
N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47188444
N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47188445
2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 48983117
2-ethyl-4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385088
(2,4-Dimethyl-1,3-thiazol-5-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53603078
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 53609277
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
{1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanone
CID 70772556
1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72868449
2-isopropyl-4-methyl-N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-1,3-thiazole-5-carboxamide
CID 72896227

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 42793534) is 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(Cc2nccn2C)CC(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FYLAYLWBBCKLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10(2)8-19(9-13-16-6-7-18(13)5)15(20)14-11(3)17-12(4)21-14/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42793534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).