N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide

C11H12N2OS2 — CID 4801992

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C11H12N2OS2/c1-15-9-5-3-2-4-8(9)10(14)13-11-12-6-7-16-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyPRKDNVRRWFUEHU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.24
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide (PubChem CID 4801992) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
PubChem CID4801992
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1=NCCS1
InChIInChI=1S/C11H12N2OS2/c1-15-9-5-3-2-4-8(9)10(14)13-11-12-6-7-16-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyPRKDNVRRWFUEHU-UHFFFAOYSA-N
XLogP2.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 163590328
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 71943116
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 47005068
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 47268003
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 51073257
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylfuran-3-carboxamide
CID 4063650
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide
CID 833913
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4127819

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide (CID 4801992) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
The InChIKey is PRKDNVRRWFUEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-15-9-5-3-2-4-8(9)10(14)13-11-12-6-7-16-11/h2-5H,6-7H2,1H3,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide has a molecular weight of 252.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 4801992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).