(Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine

C12H13N3S — CID 5375722

IUPAC(Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine
SMILESCN(C)/C=C(/c1ccccc1)c1ncns1
InChIInChI=1S/C12H13N3S/c1-15(2)8-11(12-13-9-14-16-12)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyQHGBINBBSWHCPZ-FLIBITNWSA-N
MW231.32 g/mol
LogP2.49
Rot. Bonds3

About (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine

(Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine (PubChem CID 5375722) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine
PubChem CID5375722
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name(Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine
SMILESCN(C)/C=C(/c1ccccc1)c1ncns1
InChIInChI=1S/C12H13N3S/c1-15(2)8-11(12-13-9-14-16-12)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-
InChIKeyQHGBINBBSWHCPZ-FLIBITNWSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenyl]morpholine
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CID 71123881
2-methyl-4,4-diphenylbut-3-en-2-amine
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CID 173126547
CID 173126547
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
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CID 21116502
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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine?
The IUPAC name of (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine (CID 5375722) is (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine.
What is the SMILES notation for (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine?
The canonical SMILES for (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine is CN(C)/C=C(/c1ccccc1)c1ncns1.
What is the InChIKey of (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine?
The InChIKey is QHGBINBBSWHCPZ-FLIBITNWSA-N. The full InChI is InChI=1S/C12H13N3S/c1-15(2)8-11(12-13-9-14-16-12)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-.
What are the key properties of (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine?
(Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine has a molecular weight of 231.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2-phenyl-2-(1,2,4-thiadiazol-5-yl)ethenamine is sourced from PubChem (CID 5375722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).