4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

C20H23N3S2 — CID 129173895

IUPAC4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESC/C=C\C=C/C(C)=N/C=C(\C)c1csc(Nc2cccc(SC)c2)n1
InChIInChI=1S/C20H23N3S2/c1-5-6-7-9-16(3)21-13-15(2)19-14-25-20(23-19)22-17-10-8-11-18(12-17)24-4/h5-14H,1-4H3,(H,22,23)/b6-5-,9-7-,15-13+,21-16+
InChIKeyJLAUKYWILLHXHT-XMUQJGFPSA-N
MW369.56 g/mol
LogP6.56
Rot. Bonds7

About 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 129173895) has the molecular formula C20H23N3S2 and a molecular weight of 369.56 g/mol. Its IUPAC name is 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID129173895
Molecular FormulaC20H23N3S2
Molecular Weight369.56 g/mol
Exact Mass369.13
IUPAC Name4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESC/C=C\C=C/C(C)=N/C=C(\C)c1csc(Nc2cccc(SC)c2)n1
InChIInChI=1S/C20H23N3S2/c1-5-6-7-9-16(3)21-13-15(2)19-14-25-20(23-19)22-17-10-8-11-18(12-17)24-4/h5-14H,1-4H3,(H,22,23)/b6-5-,9-7-,15-13+,21-16+
InChIKeyJLAUKYWILLHXHT-XMUQJGFPSA-N
XLogP6.56
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128
N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 58910606
N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 122184011
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 95477972
ethyl 5-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 122183965
2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 16948727
5-acetyl-2-(3-methylsulfanylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696714
methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227
6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80544469
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (CID 129173895) is 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is C/C=C\C=C/C(C)=N/C=C(\C)c1csc(Nc2cccc(SC)c2)n1.
What is the InChIKey of 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is JLAUKYWILLHXHT-XMUQJGFPSA-N. The full InChI is InChI=1S/C20H23N3S2/c1-5-6-7-9-16(3)21-13-15(2)19-14-25-20(23-19)22-17-10-8-11-18(12-17)24-4/h5-14H,1-4H3,(H,22,23)/b6-5-,9-7-,15-13+,21-16+.
What are the key properties of 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 369.56 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[[(3Z,5Z)-hepta-3,5-dien-2-ylidene]amino]prop-1-en-2-yl]-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 129173895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).