3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C15H19N3OS — CID 63213843

IUPAC3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1C
InChIInChI=1S/C15H19N3OS/c1-9(2)13-8-20-15(17-13)18-14(19)11-5-6-12(16-4)10(3)7-11/h5-9,16H,1-4H3,(H,17,18,19)
InChIKeyCMFUQPANBHIHOX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.87
Rot. Bonds4

About 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 63213843) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID63213843
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1C
InChIInChI=1S/C15H19N3OS/c1-9(2)13-8-20-15(17-13)18-14(19)11-5-6-12(16-4)10(3)7-11/h5-9,16H,1-4H3,(H,17,18,19)
InChIKeyCMFUQPANBHIHOX-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 30715818
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-6-carboxamide
CID 102712241
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61482478
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37019052
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61482479
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
CID 106753495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 63213843) is 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CNc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1C.
What is the InChIKey of 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CMFUQPANBHIHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9(2)13-8-20-15(17-13)18-14(19)11-5-6-12(16-4)10(3)7-11/h5-9,16H,1-4H3,(H,17,18,19).
What are the key properties of 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 63213843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).