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

C16H18N6OS — CID 46970706

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3nnn(C(C)C)n3)cc2)cs1
InChIInChI=1S/C16H18N6OS/c1-10(2)22-20-15(19-21-22)8-16(23)18-13-6-4-12(5-7-13)14-9-24-11(3)17-14/h4-7,9-10H,8H2,1-3H3,(H,18,23)
InChIKeyNHLPEYFPSJIIJW-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.87
Rot. Bonds5

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide (PubChem CID 46970706) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide
PubChem CID46970706
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)Cc3nnn(C(C)C)n3)cc2)cs1
InChIInChI=1S/C16H18N6OS/c1-10(2)22-20-15(19-21-22)8-16(23)18-13-6-4-12(5-7-13)14-9-24-11(3)17-14/h4-7,9-10H,8H2,1-3H3,(H,18,23)
InChIKeyNHLPEYFPSJIIJW-UHFFFAOYSA-N
XLogP2.87
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
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
2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 8534104
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 46545817
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide (CID 46970706) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide is Cc1nc(-c2ccc(NC(=O)Cc3nnn(C(C)C)n3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide?
The InChIKey is NHLPEYFPSJIIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-10(2)22-20-15(19-21-22)8-16(23)18-13-6-4-12(5-7-13)14-9-24-11(3)17-14/h4-7,9-10H,8H2,1-3H3,(H,18,23).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide has a molecular weight of 342.43 g/mol, XLogP of 2.87, 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-(2-propan-2-yltetrazol-5-yl)acetamide is sourced from PubChem (CID 46970706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).