4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine

C14H17N3O2S2 — CID 103379933

IUPAC4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NC1CCCc2ccccc21
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)12-13(15)17-20-14(12)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,16H,4,6,8H2,1H3,(H2,15,17)
InChIKeyDGXNEWKKHYDZCG-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.62
Rot. Bonds3

About 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine

4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103379933) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
PubChem CID103379933
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NC1CCCc2ccccc21
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)12-13(15)17-20-14(12)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,16H,4,6,8H2,1H3,(H2,15,17)
InChIKeyDGXNEWKKHYDZCG-UHFFFAOYSA-N
XLogP2.62
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103379935
1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone
CID 79364230
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
CID 107553354
sodium N-(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 67463776
4-amino-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 67456420

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine (CID 103379933) is 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine is CS(=O)(=O)c1c(N)nsc1NC1CCCc2ccccc21.
What is the InChIKey of 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is DGXNEWKKHYDZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-21(18,19)12-13(15)17-20-14(12)16-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,16H,4,6,8H2,1H3,(H2,15,17).
What are the key properties of 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine?
4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 323.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103379933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).