4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

C15H13N3S2 — CID 6308176

IUPAC4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3S2/c1-11-4-6-12(7-5-11)14-10-20-15(17-14)18-16-9-13-3-2-8-19-13/h2-10H,1H3,(H,17,18)/b16-9-
InChIKeyRRYRCCQRHOPVAG-SXGWCWSVSA-N
MW299.42 g/mol
LogP4.63
Rot. Bonds4

About 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6308176) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID6308176
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3S2/c1-11-4-6-12(7-5-11)14-10-20-15(17-14)18-16-9-13-3-2-8-19-13/h2-10H,1H3,(H,17,18)/b16-9-
InChIKeyRRYRCCQRHOPVAG-SXGWCWSVSA-N
XLogP4.63
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110537943
4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 5230382
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110536077
4-(4-methylphenyl)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-thiazole
CID 7967432
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336365
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 135719316
N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 4701466
N-[(E)-(1-cyclopropylbenzimidazol-2-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 171391994

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 6308176) is 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is RRYRCCQRHOPVAG-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3S2/c1-11-4-6-12(7-5-11)14-10-20-15(17-14)18-16-9-13-3-2-8-19-13/h2-10H,1H3,(H,17,18)/b16-9-.
What are the key properties of 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 299.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6308176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).