4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide

C20H28N4OS — CID 120998241

IUPAC4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)CN(C)c1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)cc1
InChIInChI=1S/C20H28N4OS/c1-14(2)13-24(3)17-6-4-16(5-7-17)19(25)23-20-22-12-18(26-20)15-8-10-21-11-9-15/h4-7,12,14-15,21H,8-11,13H2,1-3H3,(H,22,23,25)
InChIKeyLZPBEEXVBZDBMJ-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.95
Rot. Bonds6

About 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide

4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 120998241) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide
PubChem CID120998241
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)CN(C)c1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)cc1
InChIInChI=1S/C20H28N4OS/c1-14(2)13-24(3)17-6-4-16(5-7-17)19(25)23-20-22-12-18(26-20)15-8-10-21-11-9-15/h4-7,12,14-15,21H,8-11,13H2,1-3H3,(H,22,23,25)
InChIKeyLZPBEEXVBZDBMJ-UHFFFAOYSA-N
XLogP3.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(propyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
CID 120998638
6-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 120998297
4-imidazol-1-yl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide;hydrochloride
CID 120998426
4-amino-N-(5-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 141021538
2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998569
2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 120998289
5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
CID 120998626
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide
CID 120998273
3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 120998545
2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120998549
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 120998625

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide (CID 120998241) is 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide is CC(C)CN(C)c1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)cc1.
What is the InChIKey of 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LZPBEEXVBZDBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14(2)13-24(3)17-6-4-16(5-7-17)19(25)23-20-22-12-18(26-20)15-8-10-21-11-9-15/h4-7,12,14-15,21H,8-11,13H2,1-3H3,(H,22,23,25).
What are the key properties of 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide?
4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 372.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)amino]-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 120998241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).