N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H20N2OS2 — CID 114367655

IUPACN-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESC1CSCC(c2nc(C3CC3)c(CNC3CC3)s2)O1
InChIInChI=1S/C14H20N2OS2/c1-2-9(1)13-12(7-15-10-3-4-10)19-14(16-13)11-8-18-6-5-17-11/h9-11,15H,1-8H2
InChIKeyGOFILFBFICIRJB-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.08
Rot. Bonds5

About N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114367655) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114367655
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC NameN-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESC1CSCC(c2nc(C3CC3)c(CNC3CC3)s2)O1
InChIInChI=1S/C14H20N2OS2/c1-2-9(1)13-12(7-15-10-3-4-10)19-14(16-13)11-8-18-6-5-17-11/h9-11,15H,1-8H2
InChIKeyGOFILFBFICIRJB-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
N-[[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 79963502
4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-amine
CID 114367607
N-[[4-(2-methylpropyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369085
N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82437005
N-[(4-cyclopropyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435835
N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366499
N-[[4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367687
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440933
N-[[4-cyclopropyl-2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79178304
4-[4-cyclopropyl-5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889330
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 115562445

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114367655) is N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is C1CSCC(c2nc(C3CC3)c(CNC3CC3)s2)O1.
What is the InChIKey of N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is GOFILFBFICIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-2-9(1)13-12(7-15-10-3-4-10)19-14(16-13)11-8-18-6-5-17-11/h9-11,15H,1-8H2.
What are the key properties of N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 296.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114367655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).