2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide

C15H22N4OS — CID 125436681

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2nccn2C)C(C)C)s1
InChIInChI=1S/C15H22N4OS/c1-9(2)14(15-16-6-7-19(15)5)18-13(20)8-12-10(3)17-11(4)21-12/h6-7,9,14H,8H2,1-5H3,(H,18,20)/t14-/m1/s1
InChIKeyJYUJNUMNSJYAAK-CQSZACIVSA-N
MW306.44 g/mol
LogP2.55
Rot. Bonds5

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide (PubChem CID 125436681) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
PubChem CID125436681
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
SMILESCc1nc(C)c(CC(=O)N[C@@H](c2nccn2C)C(C)C)s1
InChIInChI=1S/C15H22N4OS/c1-9(2)14(15-16-6-7-19(15)5)18-13(20)8-12-10(3)17-11(4)21-12/h6-7,9,14H,8H2,1-5H3,(H,18,20)/t14-/m1/s1
InChIKeyJYUJNUMNSJYAAK-CQSZACIVSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125164841
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122566164
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849944
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 124849945
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
CID 125448282
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 118779912
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110678645
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938982

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide (CID 125436681) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide is Cc1nc(C)c(CC(=O)N[C@@H](c2nccn2C)C(C)C)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
The InChIKey is JYUJNUMNSJYAAK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)14(15-16-6-7-19(15)5)18-13(20)8-12-10(3)17-11(4)21-12/h6-7,9,14H,8H2,1-5H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 125436681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).