1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

C16H23N5OS — CID 71865032

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCCc1cnc(CN(C)C(=O)NC2CCCc3c2cnn3C)s1
InChIInChI=1S/C16H23N5OS/c1-4-11-8-17-15(23-11)10-20(2)16(22)19-13-6-5-7-14-12(13)9-18-21(14)3/h8-9,13H,4-7,10H2,1-3H3,(H,19,22)
InChIKeyBZKRZAWOTUIUQE-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.66
Rot. Bonds4

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (PubChem CID 71865032) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
PubChem CID71865032
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCCc1cnc(CN(C)C(=O)NC2CCCc3c2cnn3C)s1
InChIInChI=1S/C16H23N5OS/c1-4-11-8-17-15(23-11)10-20(2)16(22)19-13-6-5-7-14-12(13)9-18-21(14)3/h8-9,13H,4-7,10H2,1-3H3,(H,19,22)
InChIKeyBZKRZAWOTUIUQE-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (CID 71865032) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is CCc1cnc(CN(C)C(=O)NC2CCCc3c2cnn3C)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The InChIKey is BZKRZAWOTUIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-4-11-8-17-15(23-11)10-20(2)16(22)19-13-6-5-7-14-12(13)9-18-21(14)3/h8-9,13H,4-7,10H2,1-3H3,(H,19,22).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea has a molecular weight of 333.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is sourced from PubChem (CID 71865032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).