N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C21H18N6OS — CID 55536860

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C21H18N6OS/c28-19(12-17-13-29-21(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)20-24-25-26-27(20)18-10-11-18/h1-9,13,18H,10-12H2,(H,22,28)
InChIKeyKJTGLQYQSQSKLC-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.98
Rot. Bonds6

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 55536860) has the molecular formula C21H18N6OS and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID55536860
Molecular FormulaC21H18N6OS
Molecular Weight402.48 g/mol
Exact Mass402.13
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C21H18N6OS/c28-19(12-17-13-29-21(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)20-24-25-26-27(20)18-10-11-18/h1-9,13,18H,10-12H2,(H,22,28)
InChIKeyKJTGLQYQSQSKLC-UHFFFAOYSA-N
XLogP3.98
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 32895200
3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856076
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 47942946
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 9455853
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 42314937

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 55536860) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KJTGLQYQSQSKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS/c28-19(12-17-13-29-21(23-17)15-4-2-1-3-5-15)22-16-8-6-14(7-9-16)20-24-25-26-27(20)18-10-11-18/h1-9,13,18H,10-12H2,(H,22,28).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55536860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).