4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine

C15H15F2N3S — CID 90656446

IUPAC4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine
SMILESC[C@@H]1CC/C(=N\Nc2nc(-c3ccc(F)cc3F)cs2)C1
InChIInChI=1S/C15H15F2N3S/c1-9-2-4-11(6-9)19-20-15-18-14(8-21-15)12-5-3-10(16)7-13(12)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)/b19-11+/t9-/m1/s1
InChIKeyPJWFRUUGFPZZBB-KRLZGKIESA-N
MW307.37 g/mol
LogP4.68
Rot. Bonds3

About 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine

4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine (PubChem CID 90656446) has the molecular formula C15H15F2N3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine
PubChem CID90656446
Molecular FormulaC15H15F2N3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine
SMILESC[C@@H]1CC/C(=N\Nc2nc(-c3ccc(F)cc3F)cs2)C1
InChIInChI=1S/C15H15F2N3S/c1-9-2-4-11(6-9)19-20-15-18-14(8-21-15)12-5-3-10(16)7-13(12)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)/b19-11+/t9-/m1/s1
InChIKeyPJWFRUUGFPZZBB-KRLZGKIESA-N
XLogP4.68
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.68
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'}

Analyze 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 90676871
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 11820967
4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 71451200
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61337891
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 5065233
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine (CID 90656446) is 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine is C[C@@H]1CC/C(=N\Nc2nc(-c3ccc(F)cc3F)cs2)C1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine?
The InChIKey is PJWFRUUGFPZZBB-KRLZGKIESA-N. The full InChI is InChI=1S/C15H15F2N3S/c1-9-2-4-11(6-9)19-20-15-18-14(8-21-15)12-5-3-10(16)7-13(12)17/h3,5,7-9H,2,4,6H2,1H3,(H,18,20)/b19-11+/t9-/m1/s1.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine has a molecular weight of 307.37 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 90656446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).