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

C16H16N6OS — CID 95324683

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1csc(C2CC2)n1
InChIInChI=1S/C16H16N6OS/c23-15(17-8-13-9-24-16(19-13)12-3-4-12)7-11-1-5-14(6-2-11)22-10-18-20-21-22/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,23)
InChIKeyNYEXSAIBDOXWHF-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.86
Rot. Bonds6

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 95324683) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID95324683
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NCc1csc(C2CC2)n1
InChIInChI=1S/C16H16N6OS/c23-15(17-8-13-9-24-16(19-13)12-3-4-12)7-11-1-5-14(6-2-11)22-10-18-20-21-22/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,23)
InChIKeyNYEXSAIBDOXWHF-UHFFFAOYSA-N
XLogP1.86
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 123416306
N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081592
N-[(2-phenylcyclopropyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71931856
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 97081594
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55847022
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
methyl 2-oxo-2-[4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidin-1-yl]acetate
CID 25025307
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N,N-diethyl-4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 25025310
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 95324683) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is NYEXSAIBDOXWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-15(17-8-13-9-24-16(19-13)12-3-4-12)7-11-1-5-14(6-2-11)22-10-18-20-21-22/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,23).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 340.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 95324683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).