[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C19H24N4O3S2 — CID 55471864

IUPAC[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H24N4O3S2/c1-13-17(18(20-2)27-21-13)19(24)22-8-10-23(11-9-22)28(25,26)16-7-6-14-4-3-5-15(14)12-16/h6-7,12,20H,3-5,8-11H2,1-2H3
InChIKeyHWVIBLJEHDTIRV-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.13
Rot. Bonds4

About [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 55471864) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID55471864
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H24N4O3S2/c1-13-17(18(20-2)27-21-13)19(24)22-8-10-23(11-9-22)28(25,26)16-7-6-14-4-3-5-15(14)12-16/h6-7,12,20H,3-5,8-11H2,1-2H3
InChIKeyHWVIBLJEHDTIRV-UHFFFAOYSA-N
XLogP2.13
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 8641181
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 26313058
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 55359518
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 9378872
(2-methyl-1H-indol-3-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 134044753
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 8641292
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16609853
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110805388
ethyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799238
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 55471864) is [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CNc1snc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is HWVIBLJEHDTIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-13-17(18(20-2)27-21-13)19(24)22-8-10-23(11-9-22)28(25,26)16-7-6-14-4-3-5-15(14)12-16/h6-7,12,20H,3-5,8-11H2,1-2H3.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 55471864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).