2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol

C10H15ClN2OS — CID 104954546

IUPAC2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ncc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2OS/c11-8-5-13-9(15-8)6-12-7-10(1-2-10)3-4-14/h5,12,14H,1-4,6-7H2
InChIKeyJIXNVFCDZBJIQD-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.05
Rot. Bonds6

About 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 104954546) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID104954546
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2ncc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2OS/c11-8-5-13-9(15-8)6-12-7-10(1-2-10)3-4-14/h5,12,14H,1-4,6-7H2
InChIKeyJIXNVFCDZBJIQD-UHFFFAOYSA-N
XLogP2.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

1-(5-chloro-1,3-thiazol-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]methanamine
CID 107124099
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 104879340
1-(5-chloro-1,3-thiazol-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 104879343
3-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268308
[1-[(5-chloro-1,3-thiazol-2-yl)methylamino]cyclopropyl]methanol
CID 104879507
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
1-(5-chloro-1,3-thiazol-2-yl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 104879601
2-[1-[[(3-chloro-4-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 114756635
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 104879273
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 104879510
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol (CID 104954546) is 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol is OCCC1(CNCc2ncc(Cl)s2)CC1.
What is the InChIKey of 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is JIXNVFCDZBJIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c11-8-5-13-9(15-8)6-12-7-10(1-2-10)3-4-14/h5,12,14H,1-4,6-7H2.
What are the key properties of 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 246.76 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 104954546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).