[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone

C16H20N2OS — CID 105134131

IUPAC[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)Cc1cccc(C(=O)c2snnc2C(C)C)c1
InChIInChI=1S/C16H20N2OS/c1-10(2)8-12-6-5-7-13(9-12)15(19)16-14(11(3)4)17-18-20-16/h5-7,9-11H,8H2,1-4H3
InChIKeySCESNHUUFSIVTA-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.09
Rot. Bonds5

About [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone

[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105134131) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105134131
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)Cc1cccc(C(=O)c2snnc2C(C)C)c1
InChIInChI=1S/C16H20N2OS/c1-10(2)8-12-6-5-7-13(9-12)15(19)16-14(11(3)4)17-18-20-16/h5-7,9-11H,8H2,1-4H3
InChIKeySCESNHUUFSIVTA-UHFFFAOYSA-N
XLogP4.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105134513
3-(2-methylpropyl)benzamide
CID 23130390
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105101004
(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone
CID 105105093
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
[[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105340754
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105085743
N-(3-carbamothioylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204613
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105134131) is [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)Cc1cccc(C(=O)c2snnc2C(C)C)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is SCESNHUUFSIVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10(2)8-12-6-5-7-13(9-12)15(19)16-14(11(3)4)17-18-20-16/h5-7,9-11H,8H2,1-4H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 288.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105134131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).