(1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine

C10H13N3S — CID 89179213

IUPAC(1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C=C(/N)c1ncc(C)s1
InChIInChI=1S/C10H13N3S/c1-7(11)4-3-5-9(12)10-13-6-8(2)14-10/h3-6H,1,11-12H2,2H3/b4-3-,9-5-
InChIKeyOUFMFCGYQRFSMQ-YSXYLNKBSA-N
MW207.30 g/mol
LogP1.78
Rot. Bonds3

About (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine

(1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine (PubChem CID 89179213) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine
PubChem CID89179213
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name(1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C\C=C(/N)c1ncc(C)s1
InChIInChI=1S/C10H13N3S/c1-7(11)4-3-5-9(12)10-13-6-8(2)14-10/h3-6H,1,11-12H2,2H3/b4-3-,9-5-
InChIKeyOUFMFCGYQRFSMQ-YSXYLNKBSA-N
XLogP1.78
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine (CID 89179213) is (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine is C=C(N)/C=C\C=C(/N)c1ncc(C)s1.
What is the InChIKey of (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine?
The InChIKey is OUFMFCGYQRFSMQ-YSXYLNKBSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7(11)4-3-5-9(12)10-13-6-8(2)14-10/h3-6H,1,11-12H2,2H3/b4-3-,9-5-.
What are the key properties of (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine?
(1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine has a molecular weight of 207.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(5-methyl-1,3-thiazol-2-yl)hexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89179213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).