1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea

C16H17N5O2S — CID 87044600

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOCCn1cc(NC(=O)Nc2cccc(-c3nccs3)c2)cn1
InChIInChI=1S/C16H17N5O2S/c1-23-7-6-21-11-14(10-18-21)20-16(22)19-13-4-2-3-12(9-13)15-17-5-8-24-15/h2-5,8-11H,6-7H2,1H3,(H2,19,20,22)
InChIKeyFXSYTLMOOXPYRN-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.30
Rot. Bonds6

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 87044600) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID87044600
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOCCn1cc(NC(=O)Nc2cccc(-c3nccs3)c2)cn1
InChIInChI=1S/C16H17N5O2S/c1-23-7-6-21-11-14(10-18-21)20-16(22)19-13-4-2-3-12(9-13)15-17-5-8-24-15/h2-5,8-11H,6-7H2,1H3,(H2,19,20,22)
InChIKeyFXSYTLMOOXPYRN-UHFFFAOYSA-N
XLogP3.30
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 87044600) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea is COCCn1cc(NC(=O)Nc2cccc(-c3nccs3)c2)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is FXSYTLMOOXPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-23-7-6-21-11-14(10-18-21)20-16(22)19-13-4-2-3-12(9-13)15-17-5-8-24-15/h2-5,8-11H,6-7H2,1H3,(H2,19,20,22).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 343.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 87044600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).