4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine

C12H22N4O2S2 — CID 103348981

IUPAC4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine
SMILESCC(CCN(C)C)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N4O2S2/c1-8(6-7-16(2)3)14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyFBRFMWUFKDHYCT-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.41
Rot. Bonds7

About 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine (PubChem CID 103348981) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine
PubChem CID103348981
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine
SMILESCC(CCN(C)C)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N4O2S2/c1-8(6-7-16(2)3)14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyFBRFMWUFKDHYCT-UHFFFAOYSA-N
XLogP1.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103349140
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-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360692
5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360700

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine (CID 103348981) is 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine is CC(CCN(C)C)Nc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine?
The InChIKey is FBRFMWUFKDHYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-8(6-7-16(2)3)14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine has a molecular weight of 318.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).