2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline

C10H7Cl2FN2S — CID 104921573

IUPAC2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ncc(Cl)s2)c(Cl)c1
InChIInChI=1S/C10H7Cl2FN2S/c11-7-3-6(13)1-2-8(7)14-5-10-15-4-9(12)16-10/h1-4,14H,5H2
InChIKeyCAEJFCNLPSWMJO-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.20
Rot. Bonds3

About 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline

2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline (PubChem CID 104921573) has the molecular formula C10H7Cl2FN2S and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
PubChem CID104921573
Molecular FormulaC10H7Cl2FN2S
Molecular Weight277.15 g/mol
Exact Mass275.97
IUPAC Name2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ncc(Cl)s2)c(Cl)c1
InChIInChI=1S/C10H7Cl2FN2S/c11-7-3-6(13)1-2-8(7)14-5-10-15-4-9(12)16-10/h1-4,14H,5H2
InChIKeyCAEJFCNLPSWMJO-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
CID 104921572
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-4-fluoroaniline
CID 60671832
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-chloro-4-fluoroaniline
CID 63120671
3-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-5-fluoroaniline
CID 104879426
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104879408
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline (CID 104921573) is 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline is Fc1ccc(NCc2ncc(Cl)s2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline?
The InChIKey is CAEJFCNLPSWMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2S/c11-7-3-6(13)1-2-8(7)14-5-10-15-4-9(12)16-10/h1-4,14H,5H2.
What are the key properties of 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline?
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline has a molecular weight of 277.15 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 104921573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).