N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide

C19H23FN4O2S2 — CID 155590314

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3cscn3)cc12
InChIInChI=1S/C19H23FN4O2S2/c1-10(2)24-16-11-5-14(13-8-27-9-23-13)28-18(11)22-6-12(16)17(25)21-7-15(20)19(3,4)26/h5-6,8-10,15,26H,7H2,1-4H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyVNEHMEGYEUCSQY-OAHLLOKOSA-N
MW422.55 g/mol
LogP4.08
Rot. Bonds7

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 155590314) has the molecular formula C19H23FN4O2S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide
PubChem CID155590314
Molecular FormulaC19H23FN4O2S2
Molecular Weight422.55 g/mol
Exact Mass422.12
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide
SMILESCC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3cscn3)cc12
InChIInChI=1S/C19H23FN4O2S2/c1-10(2)24-16-11-5-14(13-8-27-9-23-13)28-18(11)22-6-12(16)17(25)21-7-15(20)19(3,4)26/h5-6,8-10,15,26H,7H2,1-4H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyVNEHMEGYEUCSQY-OAHLLOKOSA-N
XLogP4.08
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide 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 N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide (CID 155590314) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide is CC(C)Nc1c(C(=O)NC[C@@H](F)C(C)(C)O)cnc2sc(-c3cscn3)cc12.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is VNEHMEGYEUCSQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23FN4O2S2/c1-10(2)24-16-11-5-14(13-8-27-9-23-13)28-18(11)22-6-12(16)17(25)21-7-15(20)19(3,4)26/h5-6,8-10,15,26H,7H2,1-4H3,(H,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)-2-(1,3-thiazol-4-yl)thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155590314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).