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

C14H13ClN6OS — CID 71795641

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cnnn1
InChIInChI=1S/C14H13ClN6OS/c1-9-12(6-16-13(22)7-21-8-17-19-20-21)23-14(18-9)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,22)
InChIKeyWYJJXDSAMNHFOV-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.07
Rot. Bonds5

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

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71795641) has the molecular formula C14H13ClN6OS and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID71795641
Molecular FormulaC14H13ClN6OS
Molecular Weight348.82 g/mol
Exact Mass348.06
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cnnn1
InChIInChI=1S/C14H13ClN6OS/c1-9-12(6-16-13(22)7-21-8-17-19-20-21)23-14(18-9)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,22)
InChIKeyWYJJXDSAMNHFOV-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 2446277
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552550
N-((4-methyl-2-(o-tolyl)thiazol-5-yl)methyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 71795492
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-2-(1H-pyrazol-1-yl)acetamide
CID 71795639
N-(2-(2-methylthiazol-4-yl)phenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 73168681
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)pyrimidine-2-carboxamide
CID 86263735
4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]butanamide
CID 42509534
N-[1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 72042369
N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
CID 71071566
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 17560365
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47076524
N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95980120

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 71795641) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cnnn1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is WYJJXDSAMNHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6OS/c1-9-12(6-16-13(22)7-21-8-17-19-20-21)23-14(18-9)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,22).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 348.82 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71795641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).