[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol

C11H18N2O2S — CID 115671392

IUPAC[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
SMILESCOCc1nc(CNCC2(CO)CC2)cs1
InChIInChI=1S/C11H18N2O2S/c1-15-5-10-13-9(6-16-10)4-12-7-11(8-14)2-3-11/h6,12,14H,2-5,7-8H2,1H3
InChIKeyZSLAJOSVNFNUNH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.15
Rot. Bonds7

About [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol

[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol (PubChem CID 115671392) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
PubChem CID115671392
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
SMILESCOCc1nc(CNCC2(CO)CC2)cs1
InChIInChI=1S/C11H18N2O2S/c1-15-5-10-13-9(6-16-10)4-12-7-11(8-14)2-3-11/h6,12,14H,2-5,7-8H2,1H3
InChIKeyZSLAJOSVNFNUNH-UHFFFAOYSA-N
XLogP1.15
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol (CID 115671392) is [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol is COCc1nc(CNCC2(CO)CC2)cs1.
What is the InChIKey of [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol?
The InChIKey is ZSLAJOSVNFNUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-15-5-10-13-9(6-16-10)4-12-7-11(8-14)2-3-11/h6,12,14H,2-5,7-8H2,1H3.
What are the key properties of [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol?
[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol has a molecular weight of 242.34 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115671392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).