N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

C21H19ClN6OS — CID 38846667

IUPACN-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2nnc(-c3ccccc3)n2)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C21H19ClN6OS/c1-13-9-14(2)19(18(22)10-13)28(15(3)29)21-23-17(12-30-21)11-27-25-20(24-26-27)16-7-5-4-6-8-16/h4-10,12H,11H2,1-3H3
InChIKeyPCCVHYXCBHYVPJ-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.80
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 38846667) has the molecular formula C21H19ClN6OS and a molecular weight of 438.94 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID38846667
Molecular FormulaC21H19ClN6OS
Molecular Weight438.94 g/mol
Exact Mass438.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2nnc(-c3ccccc3)n2)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C21H19ClN6OS/c1-13-9-14(2)19(18(22)10-13)28(15(3)29)21-23-17(12-30-21)11-27-25-20(24-26-27)16-7-5-4-6-8-16/h4-10,12H,11H2,1-3H3
InChIKeyPCCVHYXCBHYVPJ-UHFFFAOYSA-N
XLogP4.80
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16325260
N-(3-chlorophenyl)-N-[4-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 16373355
N-[4-(2-aminothiazol-4-yl)-2-chloro-phenyl]-2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 16077789
N-[4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611663
N-[4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16611664
N-[4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 24327986
N-[4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 24335538
N-[4-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 24342168
N-[4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 24359081
N-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24617591
N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 31988524
N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 32277577

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 38846667) is N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(Cn2nnc(-c3ccccc3)n2)cs1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PCCVHYXCBHYVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6OS/c1-13-9-14(2)19(18(22)10-13)28(15(3)29)21-23-17(12-30-21)11-27-25-20(24-26-27)16-7-5-4-6-8-16/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38846667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).