3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide

C16H15FN4O2S — CID 167287630

IUPAC3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide
SMILESNCC(C(=O)Nc1nc2c(F)cncc2s1)c1ccc(CO)cc1
InChIInChI=1S/C16H15FN4O2S/c17-12-6-19-7-13-14(12)20-16(24-13)21-15(23)11(5-18)10-3-1-9(8-22)2-4-10/h1-4,6-7,11,22H,5,8,18H2,(H,20,21,23)
InChIKeyKTSOVRSWGKKEMI-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.00
Rot. Bonds5

About 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide

3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide (PubChem CID 167287630) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide
PubChem CID167287630
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide
SMILESNCC(C(=O)Nc1nc2c(F)cncc2s1)c1ccc(CO)cc1
InChIInChI=1S/C16H15FN4O2S/c17-12-6-19-7-13-14(12)20-16(24-13)21-15(23)11(5-18)10-3-1-9(8-22)2-4-10/h1-4,6-7,11,22H,5,8,18H2,(H,20,21,23)
InChIKeyKTSOVRSWGKKEMI-UHFFFAOYSA-N
XLogP2.00
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-3-amino-2-[4-(hydroxymethyl)phenyl]-N-isoquinolin-6-ylpropanamide
CID 139553989
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156568971
[(2S)-2-[4-(hydroxymethyl)phenyl]-3-oxo-3-(thieno[2,3-c]pyridin-2-ylamino)propyl] carbamate
CID 175129560
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenylpropanamide;hydrochloride
CID 119735287
[4-[3-amino-1-oxo-1-(thieno[2,3-c]pyridin-2-ylamino)propan-2-yl]phenyl]methyl nitrate
CID 166791622
3-amino-2-phenyl-N-thieno[2,3-c]pyridin-2-ylpropanamide
CID 175026342
(2R)-3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270792
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 134699243
3-[(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 136549203
2-amino-N-(5-fluoro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide
CID 119957674
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide (CID 167287630) is 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide is NCC(C(=O)Nc1nc2c(F)cncc2s1)c1ccc(CO)cc1.
What is the InChIKey of 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide?
The InChIKey is KTSOVRSWGKKEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c17-12-6-19-7-13-14(12)20-16(24-13)21-15(23)11(5-18)10-3-1-9(8-22)2-4-10/h1-4,6-7,11,22H,5,8,18H2,(H,20,21,23).
What are the key properties of 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide?
3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 167287630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).