N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide

C10H15IN2OS — CID 107322343

IUPACN-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCCCI)cs1
InChIInChI=1S/C10H15IN2OS/c1-8-13-9(7-15-8)10(14)12-6-4-2-3-5-11/h7H,2-6H2,1H3,(H,12,14)
InChIKeyBMZQWXGARAGCBT-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.79
Rot. Bonds6

About N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 107322343) has the molecular formula C10H15IN2OS and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID107322343
Molecular FormulaC10H15IN2OS
Molecular Weight338.21 g/mol
Exact Mass337.99
IUPAC NameN-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCCCI)cs1
InChIInChI=1S/C10H15IN2OS/c1-8-13-9(7-15-8)10(14)12-6-4-2-3-5-11/h7H,2-6H2,1H3,(H,12,14)
InChIKeyBMZQWXGARAGCBT-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.79
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
N-(5-iodopentyl)thiadiazole-4-carboxamide
CID 107322221
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 114008693

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 107322343) is N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCCCCI)cs1.
What is the InChIKey of N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BMZQWXGARAGCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2OS/c1-8-13-9(7-15-8)10(14)12-6-4-2-3-5-11/h7H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107322343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).