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

C13H23N3O2S2 — CID 103349646

IUPAC4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CN(CC)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H23N3O2S2/c1-4-9(3)8-16(5-2)13-11(12(14)15-19-13)20(17,18)10-6-7-10/h9-10H,4-8H2,1-3H3,(H2,14,15)
InChIKeyGIQOSHIXCNYXDO-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds7

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

4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349646) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103349646
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CN(CC)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H23N3O2S2/c1-4-9(3)8-16(5-2)13-11(12(14)15-19-13)20(17,18)10-6-7-10/h9-10H,4-8H2,1-3H3,(H2,14,15)
InChIKeyGIQOSHIXCNYXDO-UHFFFAOYSA-N
XLogP2.53
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349059
4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349074
4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349076
4-cyclopropylsulfonyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349080
4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103349466
4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349518
4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103349733
4-cyclopropylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103349737
4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103349847
4-ethylsulfonyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360591
5-N-methyl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360599
4-ethylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360692

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine (CID 103349646) is 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine is CCC(C)CN(CC)c1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is GIQOSHIXCNYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-9(3)8-16(5-2)13-11(12(14)15-19-13)20(17,18)10-6-7-10/h9-10H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 317.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).