[7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid

C13H15N3O3S — CID 134209197

IUPAC[7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
SMILESCc1nc2c(C(O)CC3CC3)c(NC(=O)O)cnc2s1
InChIInChI=1S/C13H15N3O3S/c1-6-15-11-10(9(17)4-7-2-3-7)8(16-13(18)19)5-14-12(11)20-6/h5,7,9,16-17H,2-4H2,1H3,(H,18,19)
InChIKeySIGOYSALNZXCDV-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.92
Rot. Bonds4

About [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid

[7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid (PubChem CID 134209197) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid.

Molecular Properties

Compound Name[7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
PubChem CID134209197
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name[7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid
SMILESCc1nc2c(C(O)CC3CC3)c(NC(=O)O)cnc2s1
InChIInChI=1S/C13H15N3O3S/c1-6-15-11-10(9(17)4-7-2-3-7)8(16-13(18)19)5-14-12(11)20-6/h5,7,9,16-17H,2-4H2,1H3,(H,18,19)
InChIKeySIGOYSALNZXCDV-UHFFFAOYSA-N
XLogP2.92
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The IUPAC name of [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid (CID 134209197) is [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid.
What is the SMILES notation for [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The canonical SMILES for [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid is Cc1nc2c(C(O)CC3CC3)c(NC(=O)O)cnc2s1.
What is the InChIKey of [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
The InChIKey is SIGOYSALNZXCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-6-15-11-10(9(17)4-7-2-3-7)8(16-13(18)19)5-14-12(11)20-6/h5,7,9,16-17H,2-4H2,1H3,(H,18,19).
What are the key properties of [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid?
[7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid has a molecular weight of 293.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-cyclopropyl-1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamic acid is sourced from PubChem (CID 134209197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).