propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate

C14H18N2O2S — CID 888534

IUPACpropan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1nc2sc(C(=O)OC(C)C)c(N)c2c(C)c1C
InChIInChI=1S/C14H18N2O2S/c1-6(2)18-14(17)12-11(15)10-8(4)7(3)9(5)16-13(10)19-12/h6H,15H2,1-5H3
InChIKeyZLTQVZYVPSPXQX-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.37
Rot. Bonds2

About propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate

propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 888534) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID888534
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Namepropan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1nc2sc(C(=O)OC(C)C)c(N)c2c(C)c1C
InChIInChI=1S/C14H18N2O2S/c1-6(2)18-14(17)12-11(15)10-8(4)7(3)9(5)16-13(10)19-12/h6H,15H2,1-5H3
InChIKeyZLTQVZYVPSPXQX-UHFFFAOYSA-N
XLogP3.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-amino-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 82055597
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 15992244
ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
CID 23774774
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
ethyl 2-[(3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23970096
3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 11551836
propan-2-yl 2-chloro-5-methyl-4-(2-methylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 82066346
3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143505135
3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23914321
3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997927

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate (CID 888534) is propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate is Cc1nc2sc(C(=O)OC(C)C)c(N)c2c(C)c1C.
What is the InChIKey of propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is ZLTQVZYVPSPXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-6(2)18-14(17)12-11(15)10-8(4)7(3)9(5)16-13(10)19-12/h6H,15H2,1-5H3.
What are the key properties of propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate?
propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 278.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 888534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).