4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine

C11H19N3O2S2 — CID 103349359

IUPAC4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCN(c1snc(N)c1S(=O)(=O)C1CC1)C(C)C
InChIInChI=1S/C11H19N3O2S2/c1-4-14(7(2)3)11-9(10(12)13-17-11)18(15,16)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyOMYHBWOFBBLXNF-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.90
Rot. Bonds5

About 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine (PubChem CID 103349359) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
PubChem CID103349359
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCN(c1snc(N)c1S(=O)(=O)C1CC1)C(C)C
InChIInChI=1S/C11H19N3O2S2/c1-4-14(7(2)3)11-9(10(12)13-17-11)18(15,16)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyOMYHBWOFBBLXNF-UHFFFAOYSA-N
XLogP1.90
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349196
4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349074
5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349436
4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349899
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893
4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348949
4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
CID 103349793
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103381492
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine (CID 103349359) is 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine is CCN(c1snc(N)c1S(=O)(=O)C1CC1)C(C)C.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The InChIKey is OMYHBWOFBBLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-4-14(7(2)3)11-9(10(12)13-17-11)18(15,16)8-5-6-8/h7-8H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine has a molecular weight of 289.43 g/mol, XLogP of 1.90, 5 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-propan-2-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).