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

C14H12ClFN6OS — CID 71071566

IUPACN-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)Cn1cnnn1
InChIInChI=1S/C14H12ClFN6OS/c1-8-14(19-12(23)6-22-7-17-20-21-22)24-13(18-8)4-9-2-10(15)5-11(16)3-9/h2-3,5,7H,4,6H2,1H3,(H,19,23)
InChIKeySNPHEBVAPWXISC-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.46
Rot. Bonds5

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

N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71071566) has the molecular formula C14H12ClFN6OS and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID71071566
Molecular FormulaC14H12ClFN6OS
Molecular Weight366.81 g/mol
Exact Mass366.05
IUPAC NameN-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)Cn1cnnn1
InChIInChI=1S/C14H12ClFN6OS/c1-8-14(19-12(23)6-22-7-17-20-21-22)24-13(18-8)4-9-2-10(15)5-11(16)3-9/h2-3,5,7H,4,6H2,1H3,(H,19,23)
InChIKeySNPHEBVAPWXISC-UHFFFAOYSA-N
XLogP2.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.46
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
N-[5-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088334
4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide
CID 71071124
N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
CID 71071512
4-acetamido-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide
CID 71071699
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51093193
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 60531844
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-2-(1H-tetrazol-1-yl)acetamide
CID 71795641
N-((2-(2-chlorophenyl)-4-methylthiazol-5-yl)methyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 71795643
acetyl chloride;4-amino-N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-1-methylimidazole-2-carboxamide
CID 161466476
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 47062868

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide (CID 71071566) is N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide is Cc1nc(Cc2cc(F)cc(Cl)c2)sc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is SNPHEBVAPWXISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN6OS/c1-8-14(19-12(23)6-22-7-17-20-21-22)24-13(18-8)4-9-2-10(15)5-11(16)3-9/h2-3,5,7H,4,6H2,1H3,(H,19,23).
What are the key properties of N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 366.81 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71071566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).