1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea

C16H15N7OS — CID 143466250

IUPAC1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea
SMILESCc1cncn1-c1n[nH]c2nc(NC(=O)NCc3ccccc3)sc12
InChIInChI=1S/C16H15N7OS/c1-10-7-17-9-23(10)14-12-13(21-22-14)19-16(25-12)20-15(24)18-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H3,18,19,20,21,22,24)
InChIKeyWIMIIYYDMSWOMF-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.84
Rot. Bonds4

About 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea

1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea (PubChem CID 143466250) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea
PubChem CID143466250
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea
SMILESCc1cncn1-c1n[nH]c2nc(NC(=O)NCc3ccccc3)sc12
InChIInChI=1S/C16H15N7OS/c1-10-7-17-9-23(10)14-12-13(21-22-14)19-16(25-12)20-15(24)18-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H3,18,19,20,21,22,24)
InChIKeyWIMIIYYDMSWOMF-UHFFFAOYSA-N
XLogP2.84
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-(5,7-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080904
1-benzyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 107653962
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
1-(1,3-benzothiazol-2-yl)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 41439102
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
1-benzyl-3-[4-methyl-5-(3-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 18322909
1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
N-[3-[5-(4-acetamido-2-chlorophenyl)imidazol-1-yl]-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925816
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea?
The IUPAC name of 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea (CID 143466250) is 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea.
What is the SMILES notation for 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea?
The canonical SMILES for 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea is Cc1cncn1-c1n[nH]c2nc(NC(=O)NCc3ccccc3)sc12.
What is the InChIKey of 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea?
The InChIKey is WIMIIYYDMSWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-10-7-17-9-23(10)14-12-13(21-22-14)19-16(25-12)20-15(24)18-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H3,18,19,20,21,22,24).
What are the key properties of 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea?
1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea has a molecular weight of 353.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(5-methylimidazol-1-yl)-1H-pyrazolo[5,4-d][1,3]thiazol-5-yl]urea is sourced from PubChem (CID 143466250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).