1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea

C13H12BrN5OS — CID 25010043

IUPAC1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea
SMILESNc1n[nH]c2ccc(NC(=O)NCc3ccc(Br)s3)cc12
InChIInChI=1S/C13H12BrN5OS/c14-11-4-2-8(21-11)6-16-13(20)17-7-1-3-10-9(5-7)12(15)19-18-10/h1-5H,6H2,(H3,15,18,19)(H2,16,17,20)
InChIKeyISRCYFUMSOGYLR-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea

1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea (PubChem CID 25010043) has the molecular formula C13H12BrN5OS and a molecular weight of 366.24 g/mol. Its IUPAC name is 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea
PubChem CID25010043
Molecular FormulaC13H12BrN5OS
Molecular Weight366.24 g/mol
Exact Mass364.99
IUPAC Name1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea
SMILESNc1n[nH]c2ccc(NC(=O)NCc3ccc(Br)s3)cc12
InChIInChI=1S/C13H12BrN5OS/c14-11-4-2-8(21-11)6-16-13(20)17-7-1-3-10-9(5-7)12(15)19-18-10/h1-5H,6H2,(H3,15,18,19)(H2,16,17,20)
InChIKeyISRCYFUMSOGYLR-UHFFFAOYSA-N
XLogP3.29
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea?
The IUPAC name of 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea (CID 25010043) is 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea is Nc1n[nH]c2ccc(NC(=O)NCc3ccc(Br)s3)cc12.
What is the InChIKey of 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea?
The InChIKey is ISRCYFUMSOGYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5OS/c14-11-4-2-8(21-11)6-16-13(20)17-7-1-3-10-9(5-7)12(15)19-18-10/h1-5H,6H2,(H3,15,18,19)(H2,16,17,20).
What are the key properties of 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea?
1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea has a molecular weight of 366.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-indazol-5-yl)-3-[(5-bromothiophen-2-yl)methyl]urea is sourced from PubChem (CID 25010043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).