4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide

C10H15ClN2OS — CID 82110975

IUPAC4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCc1cnc(C(C)NC(=O)CCCCl)s1
InChIInChI=1S/C10H15ClN2OS/c1-7-6-12-10(15-7)8(2)13-9(14)4-3-5-11/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyXPFVIWRZJWOSSA-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.65
Rot. Bonds5

About 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide

4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 82110975) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID82110975
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCc1cnc(C(C)NC(=O)CCCCl)s1
InChIInChI=1S/C10H15ClN2OS/c1-7-6-12-10(15-7)8(2)13-9(14)4-3-5-11/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyXPFVIWRZJWOSSA-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805
2,2-diethyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 115680494
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 103263524
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
CID 110025690
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 119898142
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119898122
2-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 112702019

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide (CID 82110975) is 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide is Cc1cnc(C(C)NC(=O)CCCCl)s1.
What is the InChIKey of 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is XPFVIWRZJWOSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-7-6-12-10(15-7)8(2)13-9(14)4-3-5-11/h6,8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide?
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 246.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 82110975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).