N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide

C17H19N3O2S2 — CID 75413256

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C17H19N3O2S2/c1-20(2)15(21)10-23-13-8-4-3-6-11(13)16(22)19-17-18-12-7-5-9-14(12)24-17/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,18,19,22)
InChIKeyPBKHLROGRMGRPC-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.06
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 75413256) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID75413256
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C17H19N3O2S2/c1-20(2)15(21)10-23-13-8-4-3-6-11(13)16(22)19-17-18-12-7-5-9-14(12)24-17/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,18,19,22)
InChIKeyPBKHLROGRMGRPC-UHFFFAOYSA-N
XLogP3.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzamide
CID 62176858
2-N-benzyl-2-N-methyl-1-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 2545950
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 112807871
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 40834505
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-cyclohexyl-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 46449832
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-nitrobenzamide
CID 60571613
2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 55507349
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-nitrobenzamide
CID 115931127

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide (CID 75413256) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide is CN(C)C(=O)CSc1ccccc1C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is PBKHLROGRMGRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-20(2)15(21)10-23-13-8-4-3-6-11(13)16(22)19-17-18-12-7-5-9-14(12)24-17/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 75413256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).