2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C17H22N4O2S2 — CID 138385467

IUPAC2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCCc1nccs1)C1CCc2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C17H22N4O2S2/c22-16(19-4-3-15-18-5-10-24-15)12-1-2-14-13(11-12)20-17(25-14)21-6-8-23-9-7-21/h5,10,12H,1-4,6-9,11H2,(H,19,22)
InChIKeyBRCVBDUIUPJSEN-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.90
Rot. Bonds5

About 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138385467) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138385467
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC Name2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCCc1nccs1)C1CCc2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C17H22N4O2S2/c22-16(19-4-3-15-18-5-10-24-15)12-1-2-14-13(11-12)20-17(25-14)21-6-8-23-9-7-21/h5,10,12H,1-4,6-9,11H2,(H,19,22)
InChIKeyBRCVBDUIUPJSEN-UHFFFAOYSA-N
XLogP1.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-yl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384777
N-[3-(3-methylphenyl)propyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138385548
2-morpholin-4-yl-N-[(E)-3-phenylprop-2-enyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138380472
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138382384
N-[(3-ethylimidazol-4-yl)methyl]-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138386381
2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138808421
N-(1-carbamoylcyclopentyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384883
1-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonyl)piperidine-4-carboxamide
CID 138384583
formic acid;[4-(2-hydroxyethyl)piperidin-1-yl]-(2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone
CID 154919202
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
(6S)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109656
N-benzyl-N-(2-hydroxyethyl)-2-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384008

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138385467) is 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is O=C(NCCc1nccs1)C1CCc2sc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is BRCVBDUIUPJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c22-16(19-4-3-15-18-5-10-24-15)12-1-2-14-13(11-12)20-17(25-14)21-6-8-23-9-7-21/h5,10,12H,1-4,6-9,11H2,(H,19,22).
What are the key properties of 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138385467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).