N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide

C19H24N4O3S2 — CID 78871932

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1
InChIInChI=1S/C19H24N4O3S2/c1-14-13-27-18(20-14)21-19(24)22-8-10-23(11-9-22)28(25,26)17-7-6-15-4-2-3-5-16(15)12-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,21,24)
InChIKeyHVGCASIWUZDJPT-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.87
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide (PubChem CID 78871932) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
PubChem CID78871932
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
SMILESCc1csc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1
InChIInChI=1S/C19H24N4O3S2/c1-14-13-27-18(20-14)21-19(24)22-8-10-23(11-9-22)28(25,26)17-7-6-15-4-2-3-5-16(15)12-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,21,24)
InChIKeyHVGCASIWUZDJPT-UHFFFAOYSA-N
XLogP2.87
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
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N-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide
CID 43001394
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 19257297
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43036913
2-bromo-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26362599
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
3,3-dimethyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]butan-1-one
CID 24543782
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365789
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,4-diazepane-1-carboxylate
CID 110799195
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30846281
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide (CID 78871932) is N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide is Cc1csc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
The InChIKey is HVGCASIWUZDJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-14-13-27-18(20-14)21-19(24)22-8-10-23(11-9-22)28(25,26)17-7-6-15-4-2-3-5-16(15)12-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,21,24).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carboxamide is sourced from PubChem (CID 78871932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).