1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine

C12H12N2S — CID 70042347

IUPAC1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine
SMILESCC(N)=Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H12N2S/c1-9(13)7-12-14-11(8-15-12)10-5-3-2-4-6-10/h2-8H,13H2,1H3
InChIKeyCGCOTVKVYSMDQY-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine

1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine (PubChem CID 70042347) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine
PubChem CID70042347
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine
SMILESCC(N)=Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H12N2S/c1-9(13)7-12-14-11(8-15-12)10-5-3-2-4-6-10/h2-8H,13H2,1H3
InChIKeyCGCOTVKVYSMDQY-UHFFFAOYSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
N,N-dimethyl-4-phenyl-1,3-thiazole-2-carbothioamide
CID 71367194

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine?
The IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine (CID 70042347) is 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine.
What is the SMILES notation for 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine?
The canonical SMILES for 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine is CC(N)=Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine?
The InChIKey is CGCOTVKVYSMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9(13)7-12-14-11(8-15-12)10-5-3-2-4-6-10/h2-8H,13H2,1H3.
What are the key properties of 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine?
1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine has a molecular weight of 216.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 70042347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).