3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol

C7H12N2OS — CID 83816401

IUPAC3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESCNC(CCO)c1cncs1
InChIInChI=1S/C7H12N2OS/c1-8-6(2-3-10)7-4-9-5-11-7/h4-6,8,10H,2-3H2,1H3
InChIKeyPHCXGNJWZCDXNY-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.79
Rot. Bonds4

About 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol

3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol (PubChem CID 83816401) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol
PubChem CID83816401
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol
SMILESCNC(CCO)c1cncs1
InChIInChI=1S/C7H12N2OS/c1-8-6(2-3-10)7-4-9-5-11-7/h4-6,8,10H,2-3H2,1H3
InChIKeyPHCXGNJWZCDXNY-UHFFFAOYSA-N
XLogP0.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-1-(1,3-thiazol-5-yl)pent-4-en-1-amine
CID 114475544
3-amino-3-(1,3-thiazol-5-yl)propan-1-ol
CID 55255831
N'-ethenyl-N-methyl-N'-(methylideneamino)-1-(1,3-thiazol-5-yl)propane-1,3-diamine
CID 144878077
2-(3,5-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 105406726
N-methyl-2-pyridin-3-yl-1-(1,3-thiazol-5-yl)ethanamine
CID 104736641
2-(1,3-thiazol-5-yl)propan-1-ol
CID 115091714
2-(3,4-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 82923273
1-(1,3-thiazol-5-yl)hexylhydrazine
CID 105253890
N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 83817805
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
1-(1,3-thiazol-5-yl)octylhydrazine
CID 105253705
N-ethyl-5,5,5-trifluoro-1-(1,3-thiazol-5-yl)pentan-1-amine
CID 115517469

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol (CID 83816401) is 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol is CNC(CCO)c1cncs1.
What is the InChIKey of 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is PHCXGNJWZCDXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-8-6(2-3-10)7-4-9-5-11-7/h4-6,8,10H,2-3H2,1H3.
What are the key properties of 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol?
3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-(1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 83816401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).