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

C13H22N4O2S2 — CID 103349182

IUPAC4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
SMILESCCCN1CCN(c2snc(N)c2S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C13H22N4O2S2/c1-2-5-16-6-8-17(9-7-16)13-11(12(14)15-20-13)21(18,19)10-3-4-10/h10H,2-9H2,1H3,(H2,14,15)
InChIKeyJJYBOGYYIGVYER-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.19
Rot. Bonds5

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

4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103349182) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
PubChem CID103349182
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
SMILESCCCN1CCN(c2snc(N)c2S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C13H22N4O2S2/c1-2-5-16-6-8-17(9-7-16)13-11(12(14)15-20-13)21(18,19)10-3-4-10/h10H,2-9H2,1H3,(H2,14,15)
InChIKeyJJYBOGYYIGVYER-UHFFFAOYSA-N
XLogP1.19
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
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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Related Compounds

4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine
CID 103349903
4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103542353
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381614
1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103349281
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361819
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360651
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine (CID 103349182) is 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine is CCCN1CCN(c2snc(N)c2S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is JJYBOGYYIGVYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-2-5-16-6-8-17(9-7-16)13-11(12(14)15-20-13)21(18,19)10-3-4-10/h10H,2-9H2,1H3,(H2,14,15).
What are the key properties of 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine?
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 330.48 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103349182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).