N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide

C11H12ClN3OS2 — CID 88932342

IUPACN-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide
SMILESCS(=O)N[C@@H](c1cnc(N)s1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3OS2/c1-18(16)15-10(9-6-14-11(13)17-9)7-4-2-3-5-8(7)12/h2-6,10,15H,1H3,(H2,13,14)/t10-,18?/m1/s1
InChIKeyNDMGJHWAJVBEEU-DMPGVRBJSA-N
MW301.82 g/mol
LogP2.35
Rot. Bonds4

About N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide

N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide (PubChem CID 88932342) has the molecular formula C11H12ClN3OS2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide.

Molecular Properties

Compound NameN-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide
PubChem CID88932342
Molecular FormulaC11H12ClN3OS2
Molecular Weight301.82 g/mol
Exact Mass301.01
IUPAC NameN-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide
SMILESCS(=O)N[C@@H](c1cnc(N)s1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3OS2/c1-18(16)15-10(9-6-14-11(13)17-9)7-4-2-3-5-8(7)12/h2-6,10,15H,1H3,(H2,13,14)/t10-,18?/m1/s1
InChIKeyNDMGJHWAJVBEEU-DMPGVRBJSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide?
The IUPAC name of N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide (CID 88932342) is N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide.
What is the SMILES notation for N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide?
The canonical SMILES for N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide is CS(=O)N[C@@H](c1cnc(N)s1)c1ccccc1Cl.
What is the InChIKey of N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide?
The InChIKey is NDMGJHWAJVBEEU-DMPGVRBJSA-N. The full InChI is InChI=1S/C11H12ClN3OS2/c1-18(16)15-10(9-6-14-11(13)17-9)7-4-2-3-5-8(7)12/h2-6,10,15H,1H3,(H2,13,14)/t10-,18?/m1/s1.
What are the key properties of N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide?
N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide has a molecular weight of 301.82 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-amino-1,3-thiazol-5-yl)-(2-chlorophenyl)methyl]methanesulfinamide is sourced from PubChem (CID 88932342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).