N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C12H20N2O2S2 — CID 82436808

IUPACN-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CS(C)(=O)=O)nc1C1CC1
InChIInChI=1S/C12H20N2O2S2/c1-3-6-13-7-10-12(9-4-5-9)14-11(17-10)8-18(2,15)16/h9,13H,3-8H2,1-2H3
InChIKeyFFMWPVAUOIKPID-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.06
Rot. Bonds7

About N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82436808) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82436808
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CS(C)(=O)=O)nc1C1CC1
InChIInChI=1S/C12H20N2O2S2/c1-3-6-13-7-10-12(9-4-5-9)14-11(17-10)8-18(2,15)16/h9,13H,3-8H2,1-2H3
InChIKeyFFMWPVAUOIKPID-UHFFFAOYSA-N
XLogP2.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanethiol
CID 82436819
N-[[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82434472
N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82436832
N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150649
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436687
N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63917159
N-[[4-cyclopropyl-2-(4-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916226
N-[[4-cyclopropyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82437800
N-[[2-(ethylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82426424
[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82436840
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82436808) is N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(CS(C)(=O)=O)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is FFMWPVAUOIKPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-3-6-13-7-10-12(9-4-5-9)14-11(17-10)8-18(2,15)16/h9,13H,3-8H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82436808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).