N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

C14H13ClN6OS — CID 60531739

IUPACN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnnn2)sc1Cc1ccccc1Cl
InChIInChI=1S/C14H13ClN6OS/c1-9-12(6-10-4-2-3-5-11(10)15)23-14(17-9)18-13(22)7-21-8-16-19-20-21/h2-5,8H,6-7H2,1H3,(H,17,18,22)
InChIKeyGNESUGQEKBFIHR-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.32
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 60531739) has the molecular formula C14H13ClN6OS and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID60531739
Molecular FormulaC14H13ClN6OS
Molecular Weight348.82 g/mol
Exact Mass348.06
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnnn2)sc1Cc1ccccc1Cl
InChIInChI=1S/C14H13ClN6OS/c1-9-12(6-10-4-2-3-5-11(10)15)23-14(17-9)18-13(22)7-21-8-16-19-20-21/h2-5,8H,6-7H2,1H3,(H,17,18,22)
InChIKeyGNESUGQEKBFIHR-UHFFFAOYSA-N
XLogP2.32
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 60531739) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is Cc1nc(NC(=O)Cn2cnnn2)sc1Cc1ccccc1Cl.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is GNESUGQEKBFIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6OS/c1-9-12(6-10-4-2-3-5-11(10)15)23-14(17-9)18-13(22)7-21-8-16-19-20-21/h2-5,8H,6-7H2,1H3,(H,17,18,22).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 348.82 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 60531739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).