4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide

C14H16N4O3S2 — CID 71145729

IUPAC4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H16N4O3S2/c1-8-13(22-18-17-8)14(19)16-12-4-2-3-9-7-10(23(15,20)21)5-6-11(9)12/h5-7,12H,2-4H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyPWYPNBCTMMGYTJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.30
Rot. Bonds3

About 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide

4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide (PubChem CID 71145729) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide
PubChem CID71145729
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H16N4O3S2/c1-8-13(22-18-17-8)14(19)16-12-4-2-3-9-7-10(23(15,20)21)5-6-11(9)12/h5-7,12H,2-4H2,1H3,(H,16,19)(H2,15,20,21)
InChIKeyPWYPNBCTMMGYTJ-UHFFFAOYSA-N
XLogP1.30
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71155399
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
N-[(4R)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
CID 42245579
4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide
CID 167594824
2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide
CID 125157762
3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 146135154
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79740729
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780
N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
CID 63258149
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
CID 102739009
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide (CID 71145729) is 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide?
The InChIKey is PWYPNBCTMMGYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-8-13(22-18-17-8)14(19)16-12-4-2-3-9-7-10(23(15,20)21)5-6-11(9)12/h5-7,12H,2-4H2,1H3,(H,16,19)(H2,15,20,21).
What are the key properties of 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide?
4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 71145729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).