5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine

C16H19N3S — CID 90676875

IUPAC5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(N/N=C2/CCC(C)C2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3S/c1-11-8-9-14(10-11)18-19-16-17-15(12(2)20-16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,17,19)/b18-14-
InChIKeyDUENWYZNVMBMEN-JXAWBTAJSA-N
MW285.42 g/mol
LogP4.71
Rot. Bonds3

About 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine

5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 90676875) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID90676875
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(N/N=C2/CCC(C)C2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3S/c1-11-8-9-14(10-11)18-19-16-17-15(12(2)20-16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,17,19)/b18-14-
InChIKeyDUENWYZNVMBMEN-JXAWBTAJSA-N
XLogP4.71
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine (CID 90676875) is 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine is Cc1sc(N/N=C2/CCC(C)C2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is DUENWYZNVMBMEN-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11-8-9-14(10-11)18-19-16-17-15(12(2)20-16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,17,19)/b18-14-.
What are the key properties of 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90676875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).