N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H10ClFN2S — CID 50913555

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1c(Cl)cccc1CNC1=NCCS1
InChIInChI=1S/C10H10ClFN2S/c11-8-3-1-2-7(9(8)12)6-14-10-13-4-5-15-10/h1-3H,4-6H2,(H,13,14)
InChIKeyMTJCCGGAIMTLIE-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.67
Rot. Bonds2

About N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 50913555) has the molecular formula C10H10ClFN2S and a molecular weight of 244.72 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID50913555
Molecular FormulaC10H10ClFN2S
Molecular Weight244.72 g/mol
Exact Mass244.02
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1c(Cl)cccc1CNC1=NCCS1
InChIInChI=1S/C10H10ClFN2S/c11-8-3-1-2-7(9(8)12)6-14-10-13-4-5-15-10/h1-3H,4-6H2,(H,13,14)
InChIKeyMTJCCGGAIMTLIE-UHFFFAOYSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
N-Benzyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2339337
N-(2-chlorobenzyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 935473
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 724187
Thiazolamine, 4,5-dihydro-N-((4-chlorophenyl)methyl)-
CID 1214898
2-Thiazoline, 2-((o-chlorobenzyl)amino)-
CID 3055295
3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
2-{[(3-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 23685
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12623046
2-Imidazoline, 2-((m-chlorobenzyl)thio)-, monohydrobromide
CID 23684

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 50913555) is N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1c(Cl)cccc1CNC1=NCCS1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MTJCCGGAIMTLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2S/c11-8-3-1-2-7(9(8)12)6-14-10-13-4-5-15-10/h1-3H,4-6H2,(H,13,14).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 50913555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).