3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C12H23N5O2S2 — CID 103359347

IUPAC3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCN1CCC(Nc2snc(N)c2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H23N5O2S2/c1-4-17-7-5-9(6-8-17)14-12-10(11(13)15-20-12)21(18,19)16(2)3/h9,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyDZDMGHQGRHSDQL-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.87
Rot. Bonds5

About 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103359347) has the molecular formula C12H23N5O2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103359347
Molecular FormulaC12H23N5O2S2
Molecular Weight333.48 g/mol
Exact Mass333.13
IUPAC Name3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCN1CCC(Nc2snc(N)c2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H23N5O2S2/c1-4-17-7-5-9(6-8-17)14-12-10(11(13)15-20-12)21(18,19)16(2)3/h9,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyDZDMGHQGRHSDQL-UHFFFAOYSA-N
XLogP0.87
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N,N-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360694
3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide
CID 103361145
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
CID 103364947
3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide
CID 103364974
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutan-2-ylamino)-1,2-thiazole-4-sulfonamide
CID 105942299
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103348861
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348863
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348869
4-cyclopropylsulfonyl-5-N-[4-(dimethylamino)butan-2-yl]-1,2-thiazole-3,5-diamine
CID 103348981
4-cyclopropylsulfonyl-5-N-(2-piperidin-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103348985
4-cyclopropylsulfonyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348993
4-cyclopropylsulfonyl-5-N-[(1-methylpiperidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348995

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103359347) is 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CCN1CCC(Nc2snc(N)c2S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is DZDMGHQGRHSDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S2/c1-4-17-7-5-9(6-8-17)14-12-10(11(13)15-20-12)21(18,19)16(2)3/h9,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 333.48 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-ethylpiperidin-4-yl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103359347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).