2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol

C12H22N2OS — CID 63021364

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-4-11(5-2)14(6-7-15)9-12-8-13-10(3)16-12/h8,11,15H,4-7,9H2,1-3H3
InChIKeyZKSVUGFBCHCYQB-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.43
Rot. Bonds7

About 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol

2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 63021364) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID63021364
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-4-11(5-2)14(6-7-15)9-12-8-13-10(3)16-12/h8,11,15H,4-7,9H2,1-3H3
InChIKeyZKSVUGFBCHCYQB-UHFFFAOYSA-N
XLogP2.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 103182226
3-[(2-methyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanoic acid
CID 63019605
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
CID 62128242
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 165376869
methyl 4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]butanoate
CID 62045674
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
2-methyl-5-(3-methylpentyl)-1,3-thiazole
CID 90806194
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol (CID 63021364) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1cnc(C)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is ZKSVUGFBCHCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-11(5-2)14(6-7-15)9-12-8-13-10(3)16-12/h8,11,15H,4-7,9H2,1-3H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol?
2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 242.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 63021364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).