2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid

C14H17N3O3S2 — CID 68629695

IUPAC2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid
SMILESO=C(O)N(CCN1CCOCC1)c1nc2ccc(S)cc2s1
InChIInChI=1S/C14H17N3O3S2/c18-14(19)17(4-3-16-5-7-20-8-6-16)13-15-11-2-1-10(21)9-12(11)22-13/h1-2,9,21H,3-8H2,(H,18,19)
InChIKeyWVDZKNDMINAKED-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.40
Rot. Bonds4

About 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid

2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid (PubChem CID 68629695) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid
PubChem CID68629695
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid
SMILESO=C(O)N(CCN1CCOCC1)c1nc2ccc(S)cc2s1
InChIInChI=1S/C14H17N3O3S2/c18-14(19)17(4-3-16-5-7-20-8-6-16)13-15-11-2-1-10(21)9-12(11)22-13/h1-2,9,21H,3-8H2,(H,18,19)
InChIKeyWVDZKNDMINAKED-UHFFFAOYSA-N
XLogP2.40
TPSA65.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid 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-morpholin-4-ylethyl-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamic acid
CID 87432094
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 29138202
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 7622294
2,5-dichloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933425
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 18583330
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 7622738
N-(6-bromo-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138176
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933409
N-(6-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622683
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997744
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide;hydrochloride
CID 44933519

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid?
The IUPAC name of 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid (CID 68629695) is 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid.
What is the SMILES notation for 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid?
The canonical SMILES for 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid is O=C(O)N(CCN1CCOCC1)c1nc2ccc(S)cc2s1.
What is the InChIKey of 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid?
The InChIKey is WVDZKNDMINAKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c18-14(19)17(4-3-16-5-7-20-8-6-16)13-15-11-2-1-10(21)9-12(11)22-13/h1-2,9,21H,3-8H2,(H,18,19).
What are the key properties of 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid?
2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid has a molecular weight of 339.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl-(6-sulfanyl-1,3-benzothiazol-2-yl)carbamic acid is sourced from PubChem (CID 68629695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).