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

C9H15N3O2S2 — CID 103384326

IUPAC5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC1CC(Nc2snc(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C9H15N3O2S2/c1-5-3-6(4-5)11-9-7(16(2,13)14)8(10)12-15-9/h5-6,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyNBEQOBLPIBXQEU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.34
Rot. Bonds3

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

5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103384326) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103384326
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC1CC(Nc2snc(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C9H15N3O2S2/c1-5-3-6(4-5)11-9-7(16(2,13)14)8(10)12-15-9/h5-6,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyNBEQOBLPIBXQEU-UHFFFAOYSA-N
XLogP1.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378769
3-amino-5-[(3,5-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359748
4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
CID 103384334
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
CID 114165304
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
4-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103363914
3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103362310
5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383777
4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
CID 103379933
5-N-(3-ethylcyclohexyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359765
5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359345

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103384326) is 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CC1CC(Nc2snc(N)c2S(C)(=O)=O)C1.
What is the InChIKey of 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is NBEQOBLPIBXQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-5-3-6(4-5)11-9-7(16(2,13)14)8(10)12-15-9/h5-6,11H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103384326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).