4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide

C15H22N4OS — CID 118764826

IUPAC4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)c1nc(CCNC(=O)CCCn2ccnc2)cs1
InChIInChI=1S/C15H22N4OS/c1-12(2)15-18-13(10-21-15)5-6-17-14(20)4-3-8-19-9-7-16-11-19/h7,9-12H,3-6,8H2,1-2H3,(H,17,20)
InChIKeyHWQRGHIKHZYVQQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.60
Rot. Bonds8

About 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide

4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 118764826) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID118764826
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)c1nc(CCNC(=O)CCCn2ccnc2)cs1
InChIInChI=1S/C15H22N4OS/c1-12(2)15-18-13(10-21-15)5-6-17-14(20)4-3-8-19-9-7-16-11-19/h7,9-12H,3-6,8H2,1-2H3,(H,17,20)
InChIKeyHWQRGHIKHZYVQQ-UHFFFAOYSA-N
XLogP2.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N-(4-hydroxy-2-methylpentyl)-4-imidazol-1-ylbutanamide
CID 111447010
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide (CID 118764826) is 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide is CC(C)c1nc(CCNC(=O)CCCn2ccnc2)cs1.
What is the InChIKey of 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is HWQRGHIKHZYVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-12(2)15-18-13(10-21-15)5-6-17-14(20)4-3-8-19-9-7-16-11-19/h7,9-12H,3-6,8H2,1-2H3,(H,17,20).
What are the key properties of 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide?
4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 306.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 118764826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).