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

C11H16N4O2S3 — CID 103361208

IUPAC5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCc1scnc1C
InChIInChI=1S/C11H16N4O2S3/c1-3-4-20(16,17)9-10(12)15-19-11(9)13-5-8-7(2)14-6-18-8/h6,13H,3-5H2,1-2H3,(H2,12,15)
InChIKeyNDCXKORIUDFMSY-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.29
Rot. Bonds6

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

5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103361208) has the molecular formula C11H16N4O2S3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103361208
Molecular FormulaC11H16N4O2S3
Molecular Weight332.48 g/mol
Exact Mass332.04
IUPAC Name5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCc1scnc1C
InChIInChI=1S/C11H16N4O2S3/c1-3-4-20(16,17)9-10(12)15-19-11(9)13-5-8-7(2)14-6-18-8/h6,13H,3-5H2,1-2H3,(H2,12,15)
InChIKeyNDCXKORIUDFMSY-UHFFFAOYSA-N
XLogP2.29
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
5-N-[(1-methylimidazol-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361217
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
CID 103364028
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106044505
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106412743
3-amino-N-cyclopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380199
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359875
4-ethylsulfonyl-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363537
5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363694
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
4-ethylsulfonyl-5-N-[(1-methylimidazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103361210

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103361208) is 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NCc1scnc1C.
What is the InChIKey of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is NDCXKORIUDFMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S3/c1-3-4-20(16,17)9-10(12)15-19-11(9)13-5-8-7(2)14-6-18-8/h6,13H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 332.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).