4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine

C16H12F2N4S — CID 71451200

IUPAC4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1
InChIInChI=1S/C16H12F2N4S/c1-10(11-3-2-6-19-8-11)21-22-16-20-15(9-23-16)13-5-4-12(17)7-14(13)18/h2-9H,1H3,(H,20,22)/b21-10-
InChIKeyYHBUCBHGAIJQFQ-FBHDLOMBSA-N
MW330.36 g/mol
LogP4.32
Rot. Bonds4

About 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine

4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71451200) has the molecular formula C16H12F2N4S and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID71451200
Molecular FormulaC16H12F2N4S
Molecular Weight330.36 g/mol
Exact Mass330.08
IUPAC Name4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1
InChIInChI=1S/C16H12F2N4S/c1-10(11-3-2-6-19-8-11)21-22-16-20-15(9-23-16)13-5-4-12(17)7-14(13)18/h2-9H,1H3,(H,20,22)/b21-10-
InChIKeyYHBUCBHGAIJQFQ-FBHDLOMBSA-N
XLogP4.32
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.32
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-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 51032949
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
CID 4283631
4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine
CID 90656446
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
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrochloride
CID 18774577
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
4-methoxy-2-[2-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 46204456
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine (CID 71451200) is 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccnc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is YHBUCBHGAIJQFQ-FBHDLOMBSA-N. The full InChI is InChI=1S/C16H12F2N4S/c1-10(11-3-2-6-19-8-11)21-22-16-20-15(9-23-16)13-5-4-12(17)7-14(13)18/h2-9H,1H3,(H,20,22)/b21-10-.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 330.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71451200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).