ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

C12H18N2O2S — CID 61385458

IUPACethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(s1)CN(C(C)C)CC2
InChIInChI=1S/C12H18N2O2S/c1-4-16-12(15)11-13-9-5-6-14(8(2)3)7-10(9)17-11/h8H,4-7H2,1-3H3
InChIKeyQQNKHLHVAOEWFT-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.09
Rot. Bonds3

About ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (PubChem CID 61385458) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
PubChem CID61385458
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(s1)CN(C(C)C)CC2
InChIInChI=1S/C12H18N2O2S/c1-4-16-12(15)11-13-9-5-6-14(8(2)3)7-10(9)17-11/h8H,4-7H2,1-3H3
InChIKeyQQNKHLHVAOEWFT-UHFFFAOYSA-N
XLogP2.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate
CID 45489909
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 16795413
ethyl spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-carboxylate
CID 114818769
5-propan-2-yl-N-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62943100
N-methyl-1-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanamine
CID 62545145
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 62543027
ethyl 6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 61385455
ethyl 7-oxo-5,6-dihydro-4H-1,3-benzothiazole-2-carboxylate
CID 14955933
2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 55156826
4-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)aniline
CID 43667854
ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
CID 15691762
ethyl 2-[(4-bromobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3331753

Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (CID 61385458) is ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is CCOC(=O)c1nc2c(s1)CN(C(C)C)CC2.
What is the InChIKey of ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The InChIKey is QQNKHLHVAOEWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-16-12(15)11-13-9-5-6-14(8(2)3)7-10(9)17-11/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 61385458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).