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

C14H15ClN2OS — CID 63390843

IUPACN-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H15ClN2OS/c1-11-13(19-10-16-11)14(18)17(8-7-15)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyBZPIAJFNDBZYJD-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.33
Rot. Bonds5

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

N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 63390843) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID63390843
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C14H15ClN2OS/c1-11-13(19-10-16-11)14(18)17(8-7-15)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyBZPIAJFNDBZYJD-UHFFFAOYSA-N
XLogP3.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 43459474
N-benzyl-N-(2-chloroethyl)-2-methylpyridine-4-carboxamide
CID 106754137
N-benzyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84557818
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
N-benzyl-N-(2-chloroethyl)propanamide
CID 63390961
N-benzyl-N-(2-chloroethyl)thiadiazole-4-carboxamide
CID 65216361
N-benzyl-5-bromo-N-(2-chloroethyl)thiophene-3-carboxamide
CID 107965830
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
N-benzyl-N-(2-chloroethyl)-2-methoxypyridine-3-carboxamide
CID 63390573
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 63390843) is N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BZPIAJFNDBZYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-11-13(19-10-16-11)14(18)17(8-7-15)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3.
What are the key properties of N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 63390843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).