N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide

C13H15ClFN3OS2 — CID 143412386

IUPACN-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide
SMILESCC(C)S(=O)NC(c1cnc(N)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3OS2/c1-7(2)21(19)18-12(11-6-17-13(16)20-11)9-4-3-8(15)5-10(9)14/h3-7,12,18H,1-2H3,(H2,16,17)
InChIKeyXGNVLBZUGHHVQY-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.27
Rot. Bonds5

About N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide

N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide (PubChem CID 143412386) has the molecular formula C13H15ClFN3OS2 and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide
PubChem CID143412386
Molecular FormulaC13H15ClFN3OS2
Molecular Weight347.87 g/mol
Exact Mass347.03
IUPAC NameN-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide
SMILESCC(C)S(=O)NC(c1cnc(N)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3OS2/c1-7(2)21(19)18-12(11-6-17-13(16)20-11)9-4-3-8(15)5-10(9)14/h3-7,12,18H,1-2H3,(H2,16,17)
InChIKeyXGNVLBZUGHHVQY-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[5-[(S)-(tert-butylsulfinylamino)-(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamic acid
CID 67122865
tert-butyl N-[5-[(tert-butylsulfinylamino)-(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamate
CID 72554024
(R)-N-[(S)-(2-amino-1,3-thiazol-5-yl)-phenylmethyl]-2-methylpropane-2-sulfinamide;ethane
CID 90708102
5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 105215434
N-[5-[(S)-[[(R)-tert-butylsulfinyl]amino]-(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59757121
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 102828239
(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209
2-(2-chloro-4-fluorophenyl)propanamide
CID 155026296
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215480
1-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480778

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide (CID 143412386) is N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide is CC(C)S(=O)NC(c1cnc(N)s1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide?
The InChIKey is XGNVLBZUGHHVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3OS2/c1-7(2)21(19)18-12(11-6-17-13(16)20-11)9-4-3-8(15)5-10(9)14/h3-7,12,18H,1-2H3,(H2,16,17).
What are the key properties of N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide?
N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide has a molecular weight of 347.87 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-5-yl)-(2-chloro-4-fluorophenyl)methyl]propane-2-sulfinamide is sourced from PubChem (CID 143412386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).