4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine

C14H23N3O2S2 — CID 103348955

IUPAC4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCCCCC1Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-9-5-3-2-4-6-11(9)16-14-12(13(15)17-20-14)21(18,19)10-7-8-10/h9-11,16H,2-8H2,1H3,(H2,15,17)
InChIKeyBILQQWSVJDUZPC-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.04
Rot. Bonds4

About 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine (PubChem CID 103348955) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
PubChem CID103348955
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCCCCC1Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C14H23N3O2S2/c1-9-5-3-2-4-6-11(9)16-14-12(13(15)17-20-14)21(18,19)10-7-8-10/h9-11,16H,2-8H2,1H3,(H2,15,17)
InChIKeyBILQQWSVJDUZPC-UHFFFAOYSA-N
XLogP3.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine (CID 103348955) is 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine is CC1CCCCCC1Nc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BILQQWSVJDUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-9-5-3-2-4-6-11(9)16-14-12(13(15)17-20-14)21(18,19)10-7-8-10/h9-11,16H,2-8H2,1H3,(H2,15,17).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine has a molecular weight of 329.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).