2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol

C6H9ClN2OS — CID 84664427

IUPAC2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
SMILESCC(N)C(O)c1sncc1Cl
InChIInChI=1S/C6H9ClN2OS/c1-3(8)5(10)6-4(7)2-9-11-6/h2-3,5,10H,8H2,1H3
InChIKeyPEOGIQLYWZEIJK-UHFFFAOYSA-N
MW192.67 g/mol
LogP1.18
Rot. Bonds2

About 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol

2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 84664427) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
PubChem CID84664427
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
SMILESCC(N)C(O)c1sncc1Cl
InChIInChI=1S/C6H9ClN2OS/c1-3(8)5(10)6-4(7)2-9-11-6/h2-3,5,10H,8H2,1H3
InChIKeyPEOGIQLYWZEIJK-UHFFFAOYSA-N
XLogP1.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chloro-1,2-thiazol-5-yl)ethanol
CID 84651748
2-Amino-1-(4-chloro-1,2-thiazol-5-yl)ethanol
CID 84656712
2-Amino-2-(4-chloro-1,2-thiazol-5-yl)ethanol
CID 84656713
3-Amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664428
3-Amino-3-(4-chloro-1,2-thiazol-5-yl)propan-1-ol
CID 84664429
1-(4-Chloro-1,2-thiazol-5-yl)-2-(methylamino)ethanol
CID 84664430
2-Amino-1-(4-bromo-1,2-thiazol-5-yl)propan-1-ol
CID 84699871

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol (CID 84664427) is 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol is CC(N)C(O)c1sncc1Cl.
What is the InChIKey of 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is PEOGIQLYWZEIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2OS/c1-3(8)5(10)6-4(7)2-9-11-6/h2-3,5,10H,8H2,1H3.
What are the key properties of 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol?
2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 192.67 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 84664427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).