N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide

C14H14N2O2S2 — CID 94198052

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide
SMILESC[S@@](=O)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C14H14N2O2S2/c1-20(18)11-6-4-10(5-7-11)13(17)16-14-15-12(8-19-14)9-2-3-9/h4-9H,2-3H2,1H3,(H,15,16,17)/t20-/m1/s1
InChIKeyQDXHTPJFXPAZFR-HXUWFJFHSA-N
MW306.41 g/mol
LogP3.01
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide (PubChem CID 94198052) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide
PubChem CID94198052
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide
SMILESC[S@@](=O)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C14H14N2O2S2/c1-20(18)11-6-4-10(5-7-11)13(17)16-14-15-12(8-19-14)9-2-3-9/h4-9H,2-3H2,1H3,(H,15,16,17)/t20-/m1/s1
InChIKeyQDXHTPJFXPAZFR-HXUWFJFHSA-N
XLogP3.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62174816
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 63718087
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61479305
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 32863513
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide (CID 94198052) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide is C[S@@](=O)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide?
The InChIKey is QDXHTPJFXPAZFR-HXUWFJFHSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-20(18)11-6-4-10(5-7-11)13(17)16-14-15-12(8-19-14)9-2-3-9/h4-9H,2-3H2,1H3,(H,15,16,17)/t20-/m1/s1.
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide is sourced from PubChem (CID 94198052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).