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

C13H24N4O2S2 — CID 103349899

IUPAC4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(CCCN(C)C)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H24N4O2S2/c1-4-17(9-5-8-16(2)3)13-11(12(14)15-20-13)21(18,19)10-6-7-10/h10H,4-9H2,1-3H3,(H2,14,15)
InChIKeyXFQBWAKNVJSGKV-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.44
Rot. Bonds8

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

4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine (PubChem CID 103349899) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
PubChem CID103349899
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCN(CCCN(C)C)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H24N4O2S2/c1-4-17(9-5-8-16(2)3)13-11(12(14)15-20-13)21(18,19)10-6-7-10/h10H,4-9H2,1-3H3,(H2,14,15)
InChIKeyXFQBWAKNVJSGKV-UHFFFAOYSA-N
XLogP1.44
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(cyclopropylmethyl)-4-cyclopropylsulfonyl-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349436
5-N-[3-(dimethylamino)propyl]-5-N-ethyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365992
4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349359
4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349196
3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360630
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349074
3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103362965
5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381909
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360778
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine (CID 103349899) is 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine is CCN(CCCN(C)C)c1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine?
The InChIKey is XFQBWAKNVJSGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-4-17(9-5-8-16(2)3)13-11(12(14)15-20-13)21(18,19)10-6-7-10/h10H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine has a molecular weight of 332.50 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).