N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide

C19H20N4O3S — CID 131940985

IUPACN-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1ocnc1C(=O)N1CCC(CNC(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C19H20N4O3S/c1-12-17(21-10-26-12)19(25)23-6-4-13(5-7-23)9-20-18(24)14-2-3-15-16(8-14)27-11-22-15/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,20,24)
InChIKeyGNIGFGKXYSZWHH-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.87
Rot. Bonds4

About N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide

N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 131940985) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID131940985
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1ocnc1C(=O)N1CCC(CNC(=O)c2ccc3ncsc3c2)CC1
InChIInChI=1S/C19H20N4O3S/c1-12-17(21-10-26-12)19(25)23-6-4-13(5-7-23)9-20-18(24)14-2-3-15-16(8-14)27-11-22-15/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,20,24)
InChIKeyGNIGFGKXYSZWHH-UHFFFAOYSA-N
XLogP2.87
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 71806878
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106122209
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
1,3-benzothiazol-6-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 24575268
1,3-benzothiazol-6-yl-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 47017726
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126917690
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 121120813
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide (CID 131940985) is N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide is Cc1ocnc1C(=O)N1CCC(CNC(=O)c2ccc3ncsc3c2)CC1.
What is the InChIKey of N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is GNIGFGKXYSZWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-12-17(21-10-26-12)19(25)23-6-4-13(5-7-23)9-20-18(24)14-2-3-15-16(8-14)27-11-22-15/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,20,24).
What are the key properties of N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 131940985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).