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

C14H13ClN6OS — CID 136512927

IUPAC2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)s1
InChIInChI=1S/C14H13ClN6OS/c1-8-6-16-14(23-8)9(2)18-13(22)11-4-3-10(5-12(11)15)21-7-17-19-20-21/h3-7,9H,1-2H3,(H,18,22)
InChIKeyNUXLRDXLHHFCIT-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.57
Rot. Bonds4

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

2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 136512927) has the molecular formula C14H13ClN6OS and a molecular weight of 348.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID136512927
Molecular FormulaC14H13ClN6OS
Molecular Weight348.82 g/mol
Exact Mass348.06
IUPAC Name2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)s1
InChIInChI=1S/C14H13ClN6OS/c1-8-6-16-14(23-8)9(2)18-13(22)11-4-3-10(5-12(11)15)21-7-17-19-20-21/h3-7,9H,1-2H3,(H,18,22)
InChIKeyNUXLRDXLHHFCIT-UHFFFAOYSA-N
XLogP2.57
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115741114
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
5-amino-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
4-amino-5-chloro-2-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 119898137
2,4-dichloro-N-[(2S)-4-methyl-1-oxo-1-[4-(tetrazol-1-yl)anilino]pentan-2-yl]benzamide
CID 51873691
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 136512927) is 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide is Cc1cnc(C(C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is NUXLRDXLHHFCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6OS/c1-8-6-16-14(23-8)9(2)18-13(22)11-4-3-10(5-12(11)15)21-7-17-19-20-21/h3-7,9H,1-2H3,(H,18,22).
What are the key properties of 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 348.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 136512927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).