N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide

C24H29N5OS — CID 117083185

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cccc(Nc2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1
InChIInChI=1S/C24H29N5OS/c1-28(2)21-10-6-9-20(15-21)27-24-25-16-22(31-24)23(30)26-19-11-13-29(14-12-19)17-18-7-4-3-5-8-18/h3-10,15-16,19H,11-14,17H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyTXKIGBGLNURLHO-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.35
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117083185) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117083185
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
SMILESCN(C)c1cccc(Nc2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1
InChIInChI=1S/C24H29N5OS/c1-28(2)21-10-6-9-20(15-21)27-24-25-16-22(31-24)23(30)26-19-11-13-29(14-12-19)17-18-7-4-3-5-8-18/h3-10,15-16,19H,11-14,17H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyTXKIGBGLNURLHO-UHFFFAOYSA-N
XLogP4.35
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117085648
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738884
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117089997
N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
CID 164590008
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 86891609
2-anilino-N-(1-benzylpiperidin-4-yl)benzamide
CID 27673255

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide (CID 117083185) is N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide is CN(C)c1cccc(Nc2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is TXKIGBGLNURLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-28(2)21-10-6-9-20(15-21)27-24-25-16-22(31-24)23(30)26-19-11-13-29(14-12-19)17-18-7-4-3-5-8-18/h3-10,15-16,19H,11-14,17H2,1-2H3,(H,25,27)(H,26,30).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117083185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).