(Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine

C9H12N2S — CID 139474956

IUPAC(Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine
SMILESC=CN/C(=C\C)c1cnc(C)s1
InChIInChI=1S/C9H12N2S/c1-4-8(10-5-2)9-6-11-7(3)12-9/h4-6,10H,2H2,1,3H3/b8-4-
InChIKeyRMMSOHGLUCASQL-YWEYNIOJSA-N
MW180.28 g/mol
LogP2.55
Rot. Bonds3

About (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine

(Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine (PubChem CID 139474956) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine
PubChem CID139474956
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name(Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine
SMILESC=CN/C(=C\C)c1cnc(C)s1
InChIInChI=1S/C9H12N2S/c1-4-8(10-5-2)9-6-11-7(3)12-9/h4-6,10H,2H2,1,3H3/b8-4-
InChIKeyRMMSOHGLUCASQL-YWEYNIOJSA-N
XLogP2.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
CID 57305421
(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784472
(E)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784473
(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784474
(E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784475
(E)-N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784476
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
CID 106787614
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787616
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione
CID 106787623
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
CID 106787635
2-ethyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787639
2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787679

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine (CID 139474956) is (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine is C=CN/C(=C\C)c1cnc(C)s1.
What is the InChIKey of (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine?
The InChIKey is RMMSOHGLUCASQL-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H12N2S/c1-4-8(10-5-2)9-6-11-7(3)12-9/h4-6,10H,2H2,1,3H3/b8-4-.
What are the key properties of (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine?
(Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine has a molecular weight of 180.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-(2-methyl-1,3-thiazol-5-yl)prop-1-en-1-amine is sourced from PubChem (CID 139474956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).