N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide

C16H18N2O4S — CID 46948637

IUPACN-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1
InChIInChI=1S/C16H18N2O4S/c19-7-13-11(20)6-12(22-13)16-18-10-5-8(1-4-14(10)23-16)15(21)17-9-2-3-9/h1,4-5,9,11-13,19-20H,2-3,6-7H2,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyCJGCYLGSHMWOOF-YNEHKIRRSA-N
MW334.40 g/mol
LogP1.37
Rot. Bonds4

About N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide

N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide (PubChem CID 46948637) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide
PubChem CID46948637
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NC1CC1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1
InChIInChI=1S/C16H18N2O4S/c19-7-13-11(20)6-12(22-13)16-18-10-5-8(1-4-14(10)23-16)15(21)17-9-2-3-9/h1,4-5,9,11-13,19-20H,2-3,6-7H2,(H,17,21)/t11-,12+,13+/m0/s1
InChIKeyCJGCYLGSHMWOOF-YNEHKIRRSA-N
XLogP1.37
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-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

2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide
CID 46942453
2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
CID 100786731
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 46943452
N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 164875212
N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874882
N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874914
cis-(1R,3S)-3-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322796
2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 133167285
methyl 6-[[4-(5-chloro-1,3-benzothiazol-2-yl)cyclohexyl]carbamoyl]pyrimidine-4-carboxylate
CID 167090732
N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164875123
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 123252081
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide (CID 46948637) is N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide is O=C(NC1CC1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1.
What is the InChIKey of N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is CJGCYLGSHMWOOF-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-7-13-11(20)6-12(22-13)16-18-10-5-8(1-4-14(10)23-16)15(21)17-9-2-3-9/h1,4-5,9,11-13,19-20H,2-3,6-7H2,(H,17,21)/t11-,12+,13+/m0/s1.
What are the key properties of N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide?
N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 46948637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).