N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide

C18H22N4O5S2 — CID 150905249

IUPACN-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)N3CCC(CCO)CC3)cs2)cc1
InChIInChI=1S/C18H22N4O5S2/c19-29(26,27)14-3-1-13(2-4-14)16(24)21-18-20-15(11-28-18)17(25)22-8-5-12(6-9-22)7-10-23/h1-4,11-12,23H,5-10H2,(H2,19,26,27)(H,20,21,24)
InChIKeyLAVJKHSWNRBTPV-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.28
Rot. Bonds6

About N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide

N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide (PubChem CID 150905249) has the molecular formula C18H22N4O5S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
PubChem CID150905249
Molecular FormulaC18H22N4O5S2
Molecular Weight438.53 g/mol
Exact Mass438.10
IUPAC NameN-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)N3CCC(CCO)CC3)cs2)cc1
InChIInChI=1S/C18H22N4O5S2/c19-29(26,27)14-3-1-13(2-4-14)16(24)21-18-20-15(11-28-18)17(25)22-8-5-12(6-9-22)7-10-23/h1-4,11-12,23H,5-10H2,(H2,19,26,27)(H,20,21,24)
InChIKeyLAVJKHSWNRBTPV-UHFFFAOYSA-N
XLogP1.28
TPSA142.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-sulfamoylbenzamide
CID 150361392
1-[2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915175
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199184
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333508
1-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 16915326
4-(azepan-1-ylsulfonyl)-N-[4-[2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3536744
3,4-dichloro-N-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 46113810
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
2-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114227

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
The IUPAC name of N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide (CID 150905249) is N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)N3CCC(CCO)CC3)cs2)cc1.
What is the InChIKey of N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
The InChIKey is LAVJKHSWNRBTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S2/c19-29(26,27)14-3-1-13(2-4-14)16(24)21-18-20-15(11-28-18)17(25)22-8-5-12(6-9-22)7-10-23/h1-4,11-12,23H,5-10H2,(H2,19,26,27)(H,20,21,24).
What are the key properties of N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide?
N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]-4-sulfamoylbenzamide is sourced from PubChem (CID 150905249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).