2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide

C15H23N3OS — CID 71981090

IUPAC2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(C)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C15H23N3OS/c1-4-9-16-15(19)11(2)18(3)10-14-17-12-7-5-6-8-13(12)20-14/h4,11H,1,5-10H2,2-3H3,(H,16,19)
InChIKeySMUXBUHEDYMUED-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.14
Rot. Bonds6

About 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide

2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide (PubChem CID 71981090) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide
PubChem CID71981090
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(C)Cc1nc2c(s1)CCCC2
InChIInChI=1S/C15H23N3OS/c1-4-9-16-15(19)11(2)18(3)10-14-17-12-7-5-6-8-13(12)20-14/h4,11H,1,5-10H2,2-3H3,(H,16,19)
InChIKeySMUXBUHEDYMUED-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[[(prop-2-enylamino)-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]methylidene]amino]acetamide
CID 110034547
(2R)-2-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide;dihydrochloride
CID 119884776
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-en-1-amine
CID 82113115
N-methyl-2-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide;hydrochloride
CID 120704873
N,N-dimethyl-2-[[(2-methylpropylamino)-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]methylidene]amino]acetamide
CID 110038803
methyl 2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoate
CID 82117267
3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 119884767
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
N-methyl-1-prop-2-enoyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide
CID 166411092
2-methyl-3-[methyl-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122008419
(E)-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]but-2-enamide
CID 110459785
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 122144804

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide (CID 71981090) is 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N(C)Cc1nc2c(s1)CCCC2.
What is the InChIKey of 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is SMUXBUHEDYMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-9-16-15(19)11(2)18(3)10-14-17-12-7-5-6-8-13(12)20-14/h4,11H,1,5-10H2,2-3H3,(H,16,19).
What are the key properties of 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide?
2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 293.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 71981090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).