4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine

C13H22N4O2S2 — CID 103349855

IUPAC4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2S(=O)(=O)C2CC2)CC(C)N1C
InChIInChI=1S/C13H22N4O2S2/c1-8-6-17(7-9(2)16(8)3)13-11(12(14)15-20-13)21(18,19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H2,14,15)
InChIKeyYAQWXULYOCZHQV-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.19
Rot. Bonds3

About 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine

4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103349855) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
PubChem CID103349855
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2S(=O)(=O)C2CC2)CC(C)N1C
InChIInChI=1S/C13H22N4O2S2/c1-8-6-17(7-9(2)16(8)3)13-11(12(14)15-20-13)21(18,19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H2,14,15)
InChIKeyYAQWXULYOCZHQV-UHFFFAOYSA-N
XLogP1.19
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine (CID 103349855) is 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine is CC1CN(c2snc(N)c2S(=O)(=O)C2CC2)CC(C)N1C.
What is the InChIKey of 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is YAQWXULYOCZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-8-6-17(7-9(2)16(8)3)13-11(12(14)15-20-13)21(18,19)10-4-5-10/h8-10H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine?
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 330.48 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103349855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).