1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea

C17H22N4O2S — CID 136554975

IUPAC1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea
SMILESCCc1nc(NC(=O)NC(c2ccc(OC)nc2)C2CC2)sc1C
InChIInChI=1S/C17H22N4O2S/c1-4-13-10(2)24-17(19-13)21-16(22)20-15(11-5-6-11)12-7-8-14(23-3)18-9-12/h7-9,11,15H,4-6H2,1-3H3,(H2,19,20,21,22)
InChIKeyQJGHNZXVIGXHAL-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.69
Rot. Bonds6

About 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea

1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 136554975) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea
PubChem CID136554975
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea
SMILESCCc1nc(NC(=O)NC(c2ccc(OC)nc2)C2CC2)sc1C
InChIInChI=1S/C17H22N4O2S/c1-4-13-10(2)24-17(19-13)21-16(22)20-15(11-5-6-11)12-7-8-14(23-3)18-9-12/h7-9,11,15H,4-6H2,1-3H3,(H2,19,20,21,22)
InChIKeyQJGHNZXVIGXHAL-UHFFFAOYSA-N
XLogP3.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)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-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea (CID 136554975) is 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea is CCc1nc(NC(=O)NC(c2ccc(OC)nc2)C2CC2)sc1C.
What is the InChIKey of 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is QJGHNZXVIGXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-13-10(2)24-17(19-13)21-16(22)20-15(11-5-6-11)12-7-8-14(23-3)18-9-12/h7-9,11,15H,4-6H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea?
1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 346.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 136554975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).