1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C13H19N5O2S — CID 71992409

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCCc1cnc(CNC(=O)Nc2ccn(CCOC)n2)s1
InChIInChI=1S/C13H19N5O2S/c1-3-10-8-14-12(21-10)9-15-13(19)16-11-4-5-18(17-11)6-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyHDZYSSVYNRZFGC-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.87
Rot. Bonds7

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 71992409) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID71992409
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCCc1cnc(CNC(=O)Nc2ccn(CCOC)n2)s1
InChIInChI=1S/C13H19N5O2S/c1-3-10-8-14-12(21-10)9-15-13(19)16-11-4-5-18(17-11)6-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyHDZYSSVYNRZFGC-UHFFFAOYSA-N
XLogP1.87
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 71992409) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is CCc1cnc(CNC(=O)Nc2ccn(CCOC)n2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is HDZYSSVYNRZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-10-8-14-12(21-10)9-15-13(19)16-11-4-5-18(17-11)6-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 309.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 71992409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).