N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine

C16H17N3S — CID 144544550

IUPACN-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine
SMILESC/C=C\C=N/C(=C\C)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H17N3S/c1-3-5-11-17-15(4-2)19-16-18-14(12-20-16)13-9-7-6-8-10-13/h3-12H,1-2H3,(H,18,19)/b5-3-,15-4+,17-11-
InChIKeyMMTGSIAVGUOPTJ-OHBKGUKHSA-N
MW283.40 g/mol
LogP4.73
Rot. Bonds5

About N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine

N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 144544550) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID144544550
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine
SMILESC/C=C\C=N/C(=C\C)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H17N3S/c1-3-5-11-17-15(4-2)19-16-18-14(12-20-16)13-9-7-6-8-10-13/h3-12H,1-2H3,(H,18,19)/b5-3-,15-4+,17-11-
InChIKeyMMTGSIAVGUOPTJ-OHBKGUKHSA-N
XLogP4.73
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
(E)-1-[(4-phenyl-1,3-thiazol-2-yl)amino]-3-sulfanylprop-1-en-1-ol
CID 137332114
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate
CID 3949957
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
(E)-1-[(4-phenyl-1,3-thiazol-2-yl)amino]-3-sulfanylprop-1-en-1-olate
CID 137332113
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine (CID 144544550) is N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine is C/C=C\C=N/C(=C\C)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is MMTGSIAVGUOPTJ-OHBKGUKHSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-5-11-17-15(4-2)19-16-18-14(12-20-16)13-9-7-6-8-10-13/h3-12H,1-2H3,(H,18,19)/b5-3-,15-4+,17-11-.
What are the key properties of N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine?
N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[(Z)-[(Z)-but-2-enylidene]amino]prop-1-enyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 144544550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).