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

C16H23N5OS — CID 56826797

IUPAC1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NC1CCCc2c1cnn2C)c1nc(C)cs1
InChIInChI=1S/C16H23N5OS/c1-4-12(15-18-10(2)9-23-15)19-16(22)20-13-6-5-7-14-11(13)8-17-21(14)3/h8-9,12-13H,4-7H2,1-3H3,(H2,19,20,22)
InChIKeySWNHTRHRJYERND-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.01
Rot. Bonds4

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

1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 56826797) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID56826797
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCCC(NC(=O)NC1CCCc2c1cnn2C)c1nc(C)cs1
InChIInChI=1S/C16H23N5OS/c1-4-12(15-18-10(2)9-23-15)19-16(22)20-13-6-5-7-14-11(13)8-17-21(14)3/h8-9,12-13H,4-7H2,1-3H3,(H2,19,20,22)
InChIKeySWNHTRHRJYERND-UHFFFAOYSA-N
XLogP3.01
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 56826797) is 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)NC1CCCc2c1cnn2C)c1nc(C)cs1.
What is the InChIKey of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is SWNHTRHRJYERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-4-12(15-18-10(2)9-23-15)19-16(22)20-13-6-5-7-14-11(13)8-17-21(14)3/h8-9,12-13H,4-7H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 56826797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).