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

C19H16N6OS — CID 47025716

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)cc2)cs1
InChIInChI=1S/C19H16N6OS/c1-13-21-18(11-27-13)15-4-6-16(7-5-15)22-19(26)10-14-2-8-17(9-3-14)25-12-20-23-24-25/h2-9,11-12H,10H2,1H3,(H,22,26)
InChIKeyKERPNPZPCZVGCI-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.28
Rot. Bonds5

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 47025716) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID47025716
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)cc2)cs1
InChIInChI=1S/C19H16N6OS/c1-13-21-18(11-27-13)15-4-6-16(7-5-15)22-19(26)10-14-2-8-17(9-3-14)25-12-20-23-24-25/h2-9,11-12H,10H2,1H3,(H,22,26)
InChIKeyKERPNPZPCZVGCI-UHFFFAOYSA-N
XLogP3.28
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30876196
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide
CID 46970706
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 46545817
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 24555377
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30876231
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
2-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534010
2-(1H-indol-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8533766
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 47025716) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1nc(-c2ccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is KERPNPZPCZVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-13-21-18(11-27-13)15-4-6-16(7-5-15)22-19(26)10-14-2-8-17(9-3-14)25-12-20-23-24-25/h2-9,11-12H,10H2,1H3,(H,22,26).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 47025716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).