2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol

C10H18N2OS — CID 104579964

IUPAC2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCc1cnc(C(C)NCC(C)CO)s1
InChIInChI=1S/C10H18N2OS/c1-7(6-13)4-11-9(3)10-12-5-8(2)14-10/h5,7,9,11,13H,4,6H2,1-3H3
InChIKeyCPOKLSWQNXZAKL-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.73
Rot. Bonds5

About 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol

2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol (PubChem CID 104579964) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
PubChem CID104579964
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
SMILESCc1cnc(C(C)NCC(C)CO)s1
InChIInChI=1S/C10H18N2OS/c1-7(6-13)4-11-9(3)10-12-5-8(2)14-10/h5,7,9,11,13H,4,6H2,1-3H3
InChIKeyCPOKLSWQNXZAKL-UHFFFAOYSA-N
XLogP1.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
CID 103263521
N-(2-methylsulfanylethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579941
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 103263524
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696986
1-(5-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115680118
5-(hydroxymethyl)-2-methyl-4-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol
CID 116686503
N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112697036
N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680207
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915
methyl (E)-2-methyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 104579967
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 102837273
N-[[4-(methoxymethyl)phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol (CID 104579964) is 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol is Cc1cnc(C(C)NCC(C)CO)s1.
What is the InChIKey of 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
The InChIKey is CPOKLSWQNXZAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(6-13)4-11-9(3)10-12-5-8(2)14-10/h5,7,9,11,13H,4,6H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol?
2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 104579964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).