4-(propylsulfonylmethyl)-1,3-thiazol-2-amine

C7H12N2O2S2 — CID 87536696

IUPAC4-(propylsulfonylmethyl)-1,3-thiazol-2-amine
SMILESCCCS(=O)(=O)Cc1csc(N)n1
InChIInChI=1S/C7H12N2O2S2/c1-2-3-13(10,11)5-6-4-12-7(8)9-6/h4H,2-3,5H2,1H3,(H2,8,9)
InChIKeyGWBHXENARMUPCE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.05
Rot. Bonds4

About 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine

4-(propylsulfonylmethyl)-1,3-thiazol-2-amine (PubChem CID 87536696) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(propylsulfonylmethyl)-1,3-thiazol-2-amine
PubChem CID87536696
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name4-(propylsulfonylmethyl)-1,3-thiazol-2-amine
SMILESCCCS(=O)(=O)Cc1csc(N)n1
InChIInChI=1S/C7H12N2O2S2/c1-2-3-13(10,11)5-6-4-12-7(8)9-6/h4H,2-3,5H2,1H3,(H2,8,9)
InChIKeyGWBHXENARMUPCE-UHFFFAOYSA-N
XLogP1.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 72716242
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65485637
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]pentan-1-ol
CID 111104868
5-[(2-butyl-1,3-thiazol-4-yl)methylsulfonyl]pentanenitrile
CID 60528086
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
CID 159390747

Frequently Asked Questions

What is the IUPAC name of 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine (CID 87536696) is 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine is CCCS(=O)(=O)Cc1csc(N)n1.
What is the InChIKey of 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GWBHXENARMUPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-2-3-13(10,11)5-6-4-12-7(8)9-6/h4H,2-3,5H2,1H3,(H2,8,9).
What are the key properties of 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine?
4-(propylsulfonylmethyl)-1,3-thiazol-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylsulfonylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87536696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).