5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide

C10H15ClN2OS — CID 61280444

IUPAC5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CNC(=O)CCCCCl)s1
InChIInChI=1S/C10H15ClN2OS/c1-8-12-6-9(15-8)7-13-10(14)4-2-3-5-11/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyNCLAEDMJOHFGES-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.48
Rot. Bonds6

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

5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (PubChem CID 61280444) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
PubChem CID61280444
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
SMILESCc1ncc(CNC(=O)CCCCCl)s1
InChIInChI=1S/C10H15ClN2OS/c1-8-12-6-9(15-8)7-13-10(14)4-2-3-5-11/h6H,2-5,7H2,1H3,(H,13,14)
InChIKeyNCLAEDMJOHFGES-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825763
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
(3Z)-3-amino-3-hydroxyimino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 109374476
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971
2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
4-bromo-N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-oxopropyl]benzamide
CID 86825632
4-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 71922903
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide (CID 61280444) is 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is Cc1ncc(CNC(=O)CCCCCl)s1.
What is the InChIKey of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
The InChIKey is NCLAEDMJOHFGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-8-12-6-9(15-8)7-13-10(14)4-2-3-5-11/h6H,2-5,7H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide?
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide has a molecular weight of 246.76 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 61280444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).