5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine

C20H16Cl2F2N4S2 — CID 87352618

IUPAC5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccc(F)c2Cl)s1.Nc1ncc(Cc2cccc(F)c2Cl)s1
InChIInChI=1S/2C10H8ClFN2S/c2*11-9-6(2-1-3-8(9)12)4-7-5-14-10(13)15-7/h2*1-3,5H,4H2,(H2,13,14)
InChIKeyYPESBBHFWBMKEA-UHFFFAOYSA-N
MW485.41 g/mol
LogP6.22
Rot. Bonds4

About 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine

5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 87352618) has the molecular formula C20H16Cl2F2N4S2 and a molecular weight of 485.41 g/mol. Its IUPAC name is 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID87352618
Molecular FormulaC20H16Cl2F2N4S2
Molecular Weight485.41 g/mol
Exact Mass484.02
IUPAC Name5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2cccc(F)c2Cl)s1.Nc1ncc(Cc2cccc(F)c2Cl)s1
InChIInChI=1S/2C10H8ClFN2S/c2*11-9-6(2-1-3-8(9)12)4-7-5-14-10(13)15-7/h2*1-3,5H,4H2,(H2,13,14)
InChIKeyYPESBBHFWBMKEA-UHFFFAOYSA-N
XLogP6.22
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 701041
5-[(3-Chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 795027
5-[(2,5-Dichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 717342
5-((2-Chlorophenyl)methyl)-1,3-thiazol-2-amine
CID 727745
5-((2,6-Dichlorophenyl)methyl)-1,3-thiazol-2-amine
CID 2608794
5-(2,3-Dichloro-benzyl)-thiazol-2-ylamine
CID 717338
5-(2,4-Dichloro-benzyl)-thiazol-2-ylamine
CID 732250
5-[(3-Chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 4739224
5-((4-Chloro-3-(trifluoromethyl)phenyl)methyl)-1,3-thiazol-2-amine
CID 16227620
5-[(4-Chlorophenyl)methyl]-1,3-thiazol-2-amine hydrochloride
CID 24279263
5-[(2-Chloro-3-methylphenyl)methyl]-2,3-dihydro-1,3-thiazol-2-imine
CID 28818841
5-((2,4-Difluorophenyl)methyl)-1,3-thiazol-2-amine hydrochloride
CID 45792311

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 87352618) is 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2cccc(F)c2Cl)s1.Nc1ncc(Cc2cccc(F)c2Cl)s1.
What is the InChIKey of 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YPESBBHFWBMKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8ClFN2S/c2*11-9-6(2-1-3-8(9)12)4-7-5-14-10(13)15-7/h2*1-3,5H,4H2,(H2,13,14).
What are the key properties of 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 485.41 g/mol, XLogP of 6.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87352618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).