(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide

C15H23N3O2S — CID 124702973

IUPAC(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCc1nc2c(s1)CCCC2)[C@@H]1COCCN1
InChIInChI=1S/C15H23N3O2S/c19-15(12-10-20-9-8-16-12)17-7-3-6-14-18-11-4-1-2-5-13(11)21-14/h12,16H,1-10H2,(H,17,19)/t12-/m0/s1
InChIKeyGXNXDFZKYARRMP-LBPRGKRZSA-N
MW309.44 g/mol
LogP1.06
Rot. Bonds5

About (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide

(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide (PubChem CID 124702973) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide
PubChem CID124702973
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide
SMILESO=C(NCCCc1nc2c(s1)CCCC2)[C@@H]1COCCN1
InChIInChI=1S/C15H23N3O2S/c19-15(12-10-20-9-8-16-12)17-7-3-6-14-18-11-4-1-2-5-13(11)21-14/h12,16H,1-10H2,(H,17,19)/t12-/m0/s1
InChIKeyGXNXDFZKYARRMP-LBPRGKRZSA-N
XLogP1.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316773
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)morpholine-3-carboxamide
CID 119700429
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
3-oxo-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]butanamide
CID 110460663
1-amino-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopentane-1-carboxamide
CID 119316792
(E)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]but-2-enamide
CID 110459785
5-oxo-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]pentanoic acid
CID 110442636
4-fluoro-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 110441669
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
(4aR,6S,8aR)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;dihydrochloride
CID 163334405
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide (CID 124702973) is (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide is O=C(NCCCc1nc2c(s1)CCCC2)[C@@H]1COCCN1.
What is the InChIKey of (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide?
The InChIKey is GXNXDFZKYARRMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-15(12-10-20-9-8-16-12)17-7-3-6-14-18-11-4-1-2-5-13(11)21-14/h12,16H,1-10H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide?
(3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 124702973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).