2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C20H20N2OS2 — CID 8610272

IUPAC2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C20H20N2OS2/c1-13(2)14-8-10-15(11-9-14)17-12-25-20(21-17)22-19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3,(H,21,22,23)
InChIKeyBOHUOLZPUTXPAD-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.91
Rot. Bonds5

About 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 8610272) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID8610272
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C20H20N2OS2/c1-13(2)14-8-10-15(11-9-14)17-12-25-20(21-17)22-19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3,(H,21,22,23)
InChIKeyBOHUOLZPUTXPAD-UHFFFAOYSA-N
XLogP5.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
methyl 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 60529725
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 8610272) is 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CSc1ccccc1C(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is BOHUOLZPUTXPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-13(2)14-8-10-15(11-9-14)17-12-25-20(21-17)22-19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 368.53 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8610272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).