2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol

C12H20N2OS — CID 114750165

IUPAC2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESCCc1nc(CNCC2(CCO)CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-11-14-10(8-16-11)7-13-9-12(3-4-12)5-6-15/h8,13,15H,2-7,9H2,1H3
InChIKeyMRJIAOWGRXNMAM-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.96
Rot. Bonds7

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

2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750165) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750165
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESCCc1nc(CNCC2(CCO)CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-11-14-10(8-16-11)7-13-9-12(3-4-12)5-6-15/h8,13,15H,2-7,9H2,1H3
InChIKeyMRJIAOWGRXNMAM-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436720
2-[1-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756582
[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
CID 115671392
3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 115765948
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897555
3-[2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol;hydrochloride
CID 115616096
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanol
CID 116969329
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol (CID 114750165) is 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol is CCc1nc(CNCC2(CCO)CC2)cs1.
What is the InChIKey of 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is MRJIAOWGRXNMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-11-14-10(8-16-11)7-13-9-12(3-4-12)5-6-15/h8,13,15H,2-7,9H2,1H3.
What are the key properties of 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).