N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine

C14H15N3S — CID 584447

IUPACN-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C14H15N3S/c1-2-6-11(7-3-1)13-10-18-14(15-13)17-16-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2,(H,15,17)
InChIKeyWUSIIHCESPBBHG-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.15
Rot. Bonds3

About N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine

N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 584447) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine
PubChem CID584447
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C14H15N3S/c1-2-6-11(7-3-1)13-10-18-14(15-13)17-16-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2,(H,15,17)
InChIKeyWUSIIHCESPBBHG-UHFFFAOYSA-N
XLogP4.15
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.15
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 N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine (CID 584447) is N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine is c1ccc(-c2csc(NN=C3CCCC3)n2)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is WUSIIHCESPBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-6-11(7-3-1)13-10-18-14(15-13)17-16-12-8-4-5-9-12/h1-3,6-7,10H,4-5,8-9H2,(H,15,17).
What are the key properties of N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine?
N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 257.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 584447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).