azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate

C7H12N2O2S — CID 174605166

IUPACazane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate
SMILESCc1csc(C(C)OC=O)n1.N
InChIInChI=1S/C7H9NO2S.H3N/c1-5-3-11-7(8-5)6(2)10-4-9;/h3-4,6H,1-2H3;1H3
InChIKeyCDHJRXLCLMZMDH-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.85
Rot. Bonds3

About azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate

azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate (PubChem CID 174605166) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate.

Molecular Properties

Compound Nameazane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate
PubChem CID174605166
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Nameazane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate
SMILESCc1csc(C(C)OC=O)n1.N
InChIInChI=1S/C7H9NO2S.H3N/c1-5-3-11-7(8-5)6(2)10-4-9;/h3-4,6H,1-2H3;1H3
InChIKeyCDHJRXLCLMZMDH-UHFFFAOYSA-N
XLogP1.85
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 174800577
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2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetaldehyde
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1-[4-(cyclopentylmethyl)-1,3-thiazol-2-yl]ethyl formate
CID 174863788
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
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(4-methyl-1,3-thiazol-2-yl) formate
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4-methyl-2-pentan-2-yl-1,3-thiazole
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methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
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2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 103377886
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CID 143571852
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CID 104769377

Frequently Asked Questions

What is the IUPAC name of azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate?
The IUPAC name of azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate (CID 174605166) is azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate.
What is the SMILES notation for azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate?
The canonical SMILES for azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate is Cc1csc(C(C)OC=O)n1.N.
What is the InChIKey of azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate?
The InChIKey is CDHJRXLCLMZMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.H3N/c1-5-3-11-7(8-5)6(2)10-4-9;/h3-4,6H,1-2H3;1H3.
What are the key properties of azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate?
azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate has a molecular weight of 188.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(4-methyl-1,3-thiazol-2-yl)ethyl formate is sourced from PubChem (CID 174605166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).