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

C14H25N3O2S2 — CID 103383435

IUPAC5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(C)CCN(c1snc(N)c1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C14H25N3O2S2/c1-10(2)8-9-17(11-6-4-5-7-11)14-12(21(3,18)19)13(15)16-20-14/h10-11H,4-9H2,1-3H3,(H2,15,16)
InChIKeyRFGSOAOHGJIEKM-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.92
Rot. Bonds6

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

5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103383435) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103383435
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(C)CCN(c1snc(N)c1S(C)(=O)=O)C1CCCC1
InChIInChI=1S/C14H25N3O2S2/c1-10(2)8-9-17(11-6-4-5-7-11)14-12(21(3,18)19)13(15)16-20-14/h10-11H,4-9H2,1-3H3,(H2,15,16)
InChIKeyRFGSOAOHGJIEKM-UHFFFAOYSA-N
XLogP2.92
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103383435) is 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CC(C)CCN(c1snc(N)c1S(C)(=O)=O)C1CCCC1.
What is the InChIKey of 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is RFGSOAOHGJIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-10(2)8-9-17(11-6-4-5-7-11)14-12(21(3,18)19)13(15)16-20-14/h10-11H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 331.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).