1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea

C19H24N4O3S — CID 59615725

IUPAC1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea
SMILESCCCO[C@@H](C)CNC(=O)Nc1nc(C)c(C#Cc2cncc(OC)c2)s1
InChIInChI=1S/C19H24N4O3S/c1-5-8-26-13(2)10-21-18(24)23-19-22-14(3)17(27-19)7-6-15-9-16(25-4)12-20-11-15/h9,11-13H,5,8,10H2,1-4H3,(H2,21,22,23,24)/t13-/m0/s1
InChIKeySTIDRZPXVPRSQZ-ZDUSSCGKSA-N
MW388.49 g/mol
LogP3.19
Rot. Bonds7

About 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea

1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea (PubChem CID 59615725) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea.

Molecular Properties

Compound Name1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea
PubChem CID59615725
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea
SMILESCCCO[C@@H](C)CNC(=O)Nc1nc(C)c(C#Cc2cncc(OC)c2)s1
InChIInChI=1S/C19H24N4O3S/c1-5-8-26-13(2)10-21-18(24)23-19-22-14(3)17(27-19)7-6-15-9-16(25-4)12-20-11-15/h9,11-13H,5,8,10H2,1-4H3,(H2,21,22,23,24)/t13-/m0/s1
InChIKeySTIDRZPXVPRSQZ-ZDUSSCGKSA-N
XLogP3.19
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea 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 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea?
The IUPAC name of 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea (CID 59615725) is 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea.
What is the SMILES notation for 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea?
The canonical SMILES for 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea is CCCO[C@@H](C)CNC(=O)Nc1nc(C)c(C#Cc2cncc(OC)c2)s1.
What is the InChIKey of 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea?
The InChIKey is STIDRZPXVPRSQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-5-8-26-13(2)10-21-18(24)23-19-22-14(3)17(27-19)7-6-15-9-16(25-4)12-20-11-15/h9,11-13H,5,8,10H2,1-4H3,(H2,21,22,23,24)/t13-/m0/s1.
What are the key properties of 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea?
1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea has a molecular weight of 388.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(5-methoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[(2S)-2-propoxypropyl]urea is sourced from PubChem (CID 59615725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).