2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol

C11H18N2OS — CID 115882343

IUPAC2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
SMILESCc1ncsc1CN(CCO)CC1CC1
InChIInChI=1S/C11H18N2OS/c1-9-11(15-8-12-9)7-13(4-5-14)6-10-2-3-10/h8,10,14H,2-7H2,1H3
InChIKeyIMZBRQVWFIDXDF-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.66
Rot. Bonds6

About 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol

2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol (PubChem CID 115882343) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
PubChem CID115882343
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
SMILESCc1ncsc1CN(CCO)CC1CC1
InChIInChI=1S/C11H18N2OS/c1-9-11(15-8-12-9)7-13(4-5-14)6-10-2-3-10/h8,10,14H,2-7H2,1H3
InChIKeyIMZBRQVWFIDXDF-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111104255
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 128999065
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-3-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 120845048
2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 120967037
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715140
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603544
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340135
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129466373
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 129008081
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol (CID 115882343) is 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol is Cc1ncsc1CN(CCO)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The InChIKey is IMZBRQVWFIDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-11(15-8-12-9)7-13(4-5-14)6-10-2-3-10/h8,10,14H,2-7H2,1H3.
What are the key properties of 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 115882343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).