3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide

C15H22N4OS — CID 91840007

IUPAC3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide
SMILESCc1csc(CCCNC(=O)CC(C)n2ccnc2C)n1
InChIInChI=1S/C15H22N4OS/c1-11-10-21-15(18-11)5-4-6-17-14(20)9-12(2)19-8-7-16-13(19)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyCUJUSSTZKOBLOL-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.66
Rot. Bonds7

About 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide

3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide (PubChem CID 91840007) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide
PubChem CID91840007
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide
SMILESCc1csc(CCCNC(=O)CC(C)n2ccnc2C)n1
InChIInChI=1S/C15H22N4OS/c1-11-10-21-15(18-11)5-4-6-17-14(20)9-12(2)19-8-7-16-13(19)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyCUJUSSTZKOBLOL-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 118779507
(2R)-2-(methanesulfonamido)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 98314597
(3S)-3-(2-methylimidazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butanamide
CID 125162758
2-(2-methoxyphenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110443309
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine
CID 106571805
(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
(3S)-3-(2-methylimidazol-1-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]butanamide
CID 126436301

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide?
The IUPAC name of 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide (CID 91840007) is 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide is Cc1csc(CCCNC(=O)CC(C)n2ccnc2C)n1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide?
The InChIKey is CUJUSSTZKOBLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11-10-21-15(18-11)5-4-6-17-14(20)9-12(2)19-8-7-16-13(19)3/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide?
3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide has a molecular weight of 306.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide is sourced from PubChem (CID 91840007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).