5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C10H19N3O3S2 — CID 103363481

IUPAC5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NC(C)COC
InChIInChI=1S/C10H19N3O3S2/c1-4-5-18(14,15)8-9(11)13-17-10(8)12-7(2)6-16-3/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyDCDKRCQESBVSNW-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.36
Rot. Bonds7

About 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103363481) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103363481
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NC(C)COC
InChIInChI=1S/C10H19N3O3S2/c1-4-5-18(14,15)8-9(11)13-17-10(8)12-7(2)6-16-3/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyDCDKRCQESBVSNW-UHFFFAOYSA-N
XLogP1.36
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360387
4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359730
4-ethylsulfonyl-5-N-(1-methoxy-3-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359815
5-N-(1-cyclobutylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365777
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360766
4-ethylsulfonyl-5-N-(1-piperidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103360047
5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362189
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
CID 103364028
4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
CID 106218886
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103363481) is 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NC(C)COC.
What is the InChIKey of 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is DCDKRCQESBVSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-4-5-18(14,15)8-9(11)13-17-10(8)12-7(2)6-16-3/h7,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 293.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).