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

C16H24N2OS — CID 104510024

IUPACN-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCc1nc(CC2(CNC3CC3)CCOC2C2CC2)cs1
InChIInChI=1S/C16H24N2OS/c1-11-18-14(9-20-11)8-16(10-17-13-4-5-13)6-7-19-15(16)12-2-3-12/h9,12-13,15,17H,2-8,10H2,1H3
InChIKeyKVHRVUHSLAMPJS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.93
Rot. Bonds6

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

N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 104510024) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID104510024
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCc1nc(CC2(CNC3CC3)CCOC2C2CC2)cs1
InChIInChI=1S/C16H24N2OS/c1-11-18-14(9-20-11)8-16(10-17-13-4-5-13)6-7-19-15(16)12-2-3-12/h9,12-13,15,17H,2-8,10H2,1H3
InChIKeyKVHRVUHSLAMPJS-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509765
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991
2-methyl-N-[[2-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 114534992
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104810984
N-[[2-cyclopropyl-3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 104509851
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013
2-methyl-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 107268247
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 107053590
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024019

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 104510024) is N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is Cc1nc(CC2(CNC3CC3)CCOC2C2CC2)cs1.
What is the InChIKey of N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is KVHRVUHSLAMPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-18-14(9-20-11)8-16(10-17-13-4-5-13)6-7-19-15(16)12-2-3-12/h9,12-13,15,17H,2-8,10H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 292.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104510024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).