N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H19N3O3S2 — CID 51233109

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H19N3O3S2/c1-10-8-12-9-11(6-7-14(12)20(10)25(2,22)23)16(21)19-17-18-13-4-3-5-15(13)24-17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19,21)
InChIKeyAZWBKNFZYAILTB-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.59
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 51233109) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID51233109
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1Cc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2N1S(C)(=O)=O
InChIInChI=1S/C17H19N3O3S2/c1-10-8-12-9-11(6-7-14(12)20(10)25(2,22)23)16(21)19-17-18-13-4-3-5-15(13)24-17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19,21)
InChIKeyAZWBKNFZYAILTB-UHFFFAOYSA-N
XLogP2.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 42893734
(2R)-2-methyl-1-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 28539705
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18126504
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55483539
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 46656696
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 45354619
(2S)-2-methyl-1-methylsulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 25492200
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998755
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
methyl 4-[[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]amino]benzoate
CID 8777219

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 51233109) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1Cc2cc(C(=O)Nc3nc4c(s3)CCC4)ccc2N1S(C)(=O)=O.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is AZWBKNFZYAILTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-10-8-12-9-11(6-7-14(12)20(10)25(2,22)23)16(21)19-17-18-13-4-3-5-15(13)24-17/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.59, 3 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-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51233109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).