N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

C16H17N3O3S2 — CID 1458463

IUPACN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C4CC4)n3)ccc21
InChIInChI=1S/C16H17N3O3S2/c1-24(21,22)19-7-6-12-8-11(4-5-14(12)19)13-9-23-16(17-13)18-15(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,18,20)
InChIKeyDLHLYCPGRBEDTD-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.48
Rot. Bonds4

About N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 1458463) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID1458463
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C4CC4)n3)ccc21
InChIInChI=1S/C16H17N3O3S2/c1-24(21,22)19-7-6-12-8-11(4-5-14(12)19)13-9-23-16(17-13)18-15(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,18,20)
InChIKeyDLHLYCPGRBEDTD-UHFFFAOYSA-N
XLogP2.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
CID 39974919
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 43049397
N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 167841857
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 119035720
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
CID 31263057
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 24603229
(2S)-1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 27376259
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1383858
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 92969218

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 1458463) is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C4CC4)n3)ccc21.
What is the InChIKey of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is DLHLYCPGRBEDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-24(21,22)19-7-6-12-8-11(4-5-14(12)19)13-9-23-16(17-13)18-15(20)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1458463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).