N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine

C15H17N3S — CID 877852

IUPACN-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(NN=C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H17N3S/c1-11-14(12-7-3-2-4-8-12)16-15(19-11)18-17-13-9-5-6-10-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,16,18)
InChIKeyUIXAIMZLIRPUJX-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.46
Rot. Bonds3

About N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 877852) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID877852
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(NN=C2CCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H17N3S/c1-11-14(12-7-3-2-4-8-12)16-15(19-11)18-17-13-9-5-6-10-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,16,18)
InChIKeyUIXAIMZLIRPUJX-UHFFFAOYSA-N
XLogP4.46
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.46
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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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4,5-diphenylthiazole
CID 73222
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
2-Amino-4-(4-chlorophenyl)-5-methylthiazole
CID 667574
5-Methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 702265
2-Hydrazinyl-4-phenylthiazole
CID 98613
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 877852) is N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine is Cc1sc(NN=C2CCCC2)nc1-c1ccccc1.
What is the InChIKey of N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is UIXAIMZLIRPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11-14(12-7-3-2-4-8-12)16-15(19-11)18-17-13-9-5-6-10-13/h2-4,7-8H,5-6,9-10H2,1H3,(H,16,18).
What are the key properties of N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 271.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 877852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).