N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide

C9H13ClN2OS — CID 154106972

IUPACN-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C)c(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-3-4-5-7(13)12-9-11-6(2)8(10)14-9/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyAGGMQRDCSPLTRT-UHFFFAOYSA-N
MW232.74 g/mol
LogP3.23
Rot. Bonds4

About N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide

N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 154106972) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID154106972
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC NameN-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C)c(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c1-3-4-5-7(13)12-9-11-6(2)8(10)14-9/h3-5H2,1-2H3,(H,11,12,13)
InChIKeyAGGMQRDCSPLTRT-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
3-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]propanoic acid
CID 82058784
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
CID 79193438
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
CID 130841255
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide
CID 82342366
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide (CID 154106972) is N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide is CCCCC(=O)Nc1nc(C)c(Cl)s1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is AGGMQRDCSPLTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-3-4-5-7(13)12-9-11-6(2)8(10)14-9/h3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide?
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 232.74 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 154106972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).