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

C12H21N3O2S2 — CID 103349372

IUPAC4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CN(C)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H21N3O2S2/c1-4-8(2)7-15(3)12-10(11(13)14-18-12)19(16,17)9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,13,14)
InChIKeyIJSFMMDSTRIZIO-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.14
Rot. Bonds6

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

4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349372) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103349372
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine
SMILESCCC(C)CN(C)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H21N3O2S2/c1-4-8(2)7-15(3)12-10(11(13)14-18-12)19(16,17)9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,13,14)
InChIKeyIJSFMMDSTRIZIO-UHFFFAOYSA-N
XLogP2.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.14
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-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine (CID 103349372) is 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine is CCC(C)CN(C)c1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is IJSFMMDSTRIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-4-8(2)7-15(3)12-10(11(13)14-18-12)19(16,17)9-5-6-9/h8-9H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 303.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-methyl-5-N-(2-methylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).