2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

C9H14N2OS — CID 82398162

IUPAC2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1C(O)CC1(N)CC1
InChIInChI=1S/C9H14N2OS/c1-6-8(13-5-11-6)7(12)4-9(10)2-3-9/h5,7,12H,2-4,10H2,1H3
InChIKeyZPTQWMFCPCWKHV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.37
Rot. Bonds3

About 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol

2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 82398162) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID82398162
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1ncsc1C(O)CC1(N)CC1
InChIInChI=1S/C9H14N2OS/c1-6-8(13-5-11-6)7(12)4-9(10)2-3-9/h5,7,12H,2-4,10H2,1H3
InChIKeyZPTQWMFCPCWKHV-UHFFFAOYSA-N
XLogP1.37
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 101008965
5-methyl-1-(4-methyl-1,3-thiazol-5-yl)hexan-1-ol
CID 105122728
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377
2-(1-aminocyclopropyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanol
CID 82398163
1-(4-methyl-1,3-thiazol-5-yl)nonan-1-ol
CID 105085734
2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105087638
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
2-(1-aminocyclopropyl)-1-(5-methyl-1H-pyrazol-4-yl)ethanol
CID 82408321
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966
1,4-dithian-2-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650935
2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105168486
2-(4-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105132939

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 82398162) is 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is Cc1ncsc1C(O)CC1(N)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is ZPTQWMFCPCWKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-8(13-5-11-6)7(12)4-9(10)2-3-9/h5,7,12H,2-4,10H2,1H3.
What are the key properties of 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol?
2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 82398162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).