5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C13H15ClFN3OS — CID 103361012

IUPAC5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFN3OS/c1-7(2)19-11-12(16)18-20-13(11)17-6-8-3-4-10(15)9(14)5-8/h3-5,7,17H,6H2,1-2H3,(H2,16,18)
InChIKeyYENQDYGTZACJMP-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.92
Rot. Bonds5

About 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103361012) has the molecular formula C13H15ClFN3OS and a molecular weight of 315.80 g/mol. Its IUPAC name is 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103361012
Molecular FormulaC13H15ClFN3OS
Molecular Weight315.80 g/mol
Exact Mass315.06
IUPAC Name5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFN3OS/c1-7(2)19-11-12(16)18-20-13(11)17-6-8-3-4-10(15)9(14)5-8/h3-5,7,17H,6H2,1-2H3,(H2,16,18)
InChIKeyYENQDYGTZACJMP-UHFFFAOYSA-N
XLogP3.92
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine 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

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 106044474
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
4-chloro-5-[(3-chloro-4-fluorophenyl)methylamino]dithiol-3-one
CID 151449459
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpentan-2-amine
CID 62538419
4-cyclopropyl-5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360173
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
N-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660477
2-N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80832000
2-N-[(3-chloro-4-fluorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533702
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875
6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80647965
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-methylbenzene-1,3-diamine
CID 112647695

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103361012) is 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is YENQDYGTZACJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3OS/c1-7(2)19-11-12(16)18-20-13(11)17-6-8-3-4-10(15)9(14)5-8/h3-5,7,17H,6H2,1-2H3,(H2,16,18).
What are the key properties of 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 315.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).