5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C11H17N5O2S2 — CID 103361217

IUPAC5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCc1nccn1C
InChIInChI=1S/C11H17N5O2S2/c1-3-6-20(17,18)9-10(12)15-19-11(9)14-7-8-13-4-5-16(8)2/h4-5,14H,3,6-7H2,1-2H3,(H2,12,15)
InChIKeyJKXUXUKYLHLNCP-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.25
Rot. Bonds6

About 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103361217) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103361217
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCc1nccn1C
InChIInChI=1S/C11H17N5O2S2/c1-3-6-20(17,18)9-10(12)15-19-11(9)14-7-8-13-4-5-16(8)2/h4-5,14H,3,6-7H2,1-2H3,(H2,12,15)
InChIKeyJKXUXUKYLHLNCP-UHFFFAOYSA-N
XLogP1.25
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethylsulfonyl-5-N-[(1-methylimidazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103361210
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361208
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
CID 103364028
3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79402452
4-ethylsulfonyl-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363537
4-ethylsulfonyl-5-N-(4-imidazol-1-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360335
5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363481
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
CID 106218886
5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360387

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103361217) is 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NCc1nccn1C.
What is the InChIKey of 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is JKXUXUKYLHLNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-3-6-20(17,18)9-10(12)15-19-11(9)14-7-8-13-4-5-16(8)2/h4-5,14H,3,6-7H2,1-2H3,(H2,12,15).
What are the key properties of 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 315.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).