1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea

C18H19ClN4O2S — CID 59615716

IUPAC1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea
SMILESCc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(Cl)c1
InChIInChI=1S/C18H19ClN4O2S/c1-12-15(5-4-13-6-7-20-16(19)10-13)26-18(22-12)23-17(24)21-8-9-25-11-14-2-3-14/h6-7,10,14H,2-3,8-9,11H2,1H3,(H2,21,22,23,24)
InChIKeyBABAEGAUFYJZEJ-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.45
Rot. Bonds6

About 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea

1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea (PubChem CID 59615716) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea.

Molecular Properties

Compound Name1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea
PubChem CID59615716
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea
SMILESCc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(Cl)c1
InChIInChI=1S/C18H19ClN4O2S/c1-12-15(5-4-13-6-7-20-16(19)10-13)26-18(22-12)23-17(24)21-8-9-25-11-14-2-3-14/h6-7,10,14H,2-3,8-9,11H2,1H3,(H2,21,22,23,24)
InChIKeyBABAEGAUFYJZEJ-UHFFFAOYSA-N
XLogP3.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]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-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea?
The IUPAC name of 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea (CID 59615716) is 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea.
What is the SMILES notation for 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea?
The canonical SMILES for 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea is Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(Cl)c1.
What is the InChIKey of 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea?
The InChIKey is BABAEGAUFYJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-12-15(5-4-13-6-7-20-16(19)10-13)26-18(22-12)23-17(24)21-8-9-25-11-14-2-3-14/h6-7,10,14H,2-3,8-9,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea?
1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea has a molecular weight of 390.90 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-chloro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-(cyclopropylmethoxy)ethyl]urea is sourced from PubChem (CID 59615716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).