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

C18H19FN4O2S — CID 59615736

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
SMILESCc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(F)c1
InChIInChI=1S/C18H19FN4O2S/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)
InChIKeyKSLXFOOQISQSAJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.93
Rot. Bonds6

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

1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea (PubChem CID 59615736) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
PubChem CID59615736
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
SMILESCc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(F)c1
InChIInChI=1S/C18H19FN4O2S/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)
InChIKeyKSLXFOOQISQSAJ-UHFFFAOYSA-N
XLogP2.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea (CID 59615736) is 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea is Cc1nc(NC(=O)NCCOCC2CC2)sc1C#Cc1ccnc(F)c1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea?
The InChIKey is KSLXFOOQISQSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/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-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea has a molecular weight of 374.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-[2-(2-fluoro-4-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 59615736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).