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

C12H18N2OS — CID 116727926

IUPACN-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCOC(c1nc(CNC2CC2)cs1)C1CC1
InChIInChI=1S/C12H18N2OS/c1-15-11(8-2-3-8)12-14-10(7-16-12)6-13-9-4-5-9/h7-9,11,13H,2-6H2,1H3
InChIKeySXDTYMUPIFJHQT-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.49
Rot. Bonds6

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

N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 116727926) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID116727926
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCOC(c1nc(CNC2CC2)cs1)C1CC1
InChIInChI=1S/C12H18N2OS/c1-15-11(8-2-3-8)12-14-10(7-16-12)6-13-9-4-5-9/h7-9,11,13H,2-6H2,1H3
InChIKeySXDTYMUPIFJHQT-UHFFFAOYSA-N
XLogP2.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 116727926) is N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is COC(c1nc(CNC2CC2)cs1)C1CC1.
What is the InChIKey of N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SXDTYMUPIFJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-15-11(8-2-3-8)12-14-10(7-16-12)6-13-9-4-5-9/h7-9,11,13H,2-6H2,1H3.
What are the key properties of N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 238.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116727926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).