1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea

C17H26N6OS — CID 52531470

IUPAC1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC(C)c1nnc(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)s1
InChIInChI=1S/C17H26N6OS/c1-10(2)14-21-22-16(25-14)20-15(24)19-12-7-6-8-13-11(12)9-18-23(13)17(3,4)5/h9-10,12H,6-8H2,1-5H3,(H2,19,20,22,24)/t12-/m1/s1
InChIKeyIDMAXDDKQHPSNE-GFCCVEGCSA-N
MW362.50 g/mol
LogP3.81
Rot. Bonds3

About 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea

1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 52531470) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID52531470
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCC(C)c1nnc(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)s1
InChIInChI=1S/C17H26N6OS/c1-10(2)14-21-22-16(25-14)20-15(24)19-12-7-6-8-13-11(12)9-18-23(13)17(3,4)5/h9-10,12H,6-8H2,1-5H3,(H2,19,20,22,24)/t12-/m1/s1
InChIKeyIDMAXDDKQHPSNE-GFCCVEGCSA-N
XLogP3.81
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 52531470) is 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is CC(C)c1nnc(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)s1.
What is the InChIKey of 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is IDMAXDDKQHPSNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-10(2)14-21-22-16(25-14)20-15(24)19-12-7-6-8-13-11(12)9-18-23(13)17(3,4)5/h9-10,12H,6-8H2,1-5H3,(H2,19,20,22,24)/t12-/m1/s1.
What are the key properties of 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 362.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 52531470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).