1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea

C16H15N5O2S — CID 71865826

IUPAC1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(Cc1nccs1)C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C16H15N5O2S/c1-21(10-15-17-7-8-24-15)16(23)18-12-4-2-3-11(9-12)13-5-6-14(22)20-19-13/h2-9H,10H2,1H3,(H,18,23)(H,20,22)
InChIKeyZHZALYUFFSSLRI-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.56
Rot. Bonds4

About 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea

1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 71865826) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID71865826
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN(Cc1nccs1)C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C16H15N5O2S/c1-21(10-15-17-7-8-24-15)16(23)18-12-4-2-3-11(9-12)13-5-6-14(22)20-19-13/h2-9H,10H2,1H3,(H,18,23)(H,20,22)
InChIKeyZHZALYUFFSSLRI-UHFFFAOYSA-N
XLogP2.56
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(ethylsulfanylmethyl)phenyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 71982796
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87035840
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 71844410
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
3-(4-ethyl-3-nitrophenyl)-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 75375913
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea (CID 71865826) is 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea is CN(Cc1nccs1)C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is ZHZALYUFFSSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-21(10-15-17-7-8-24-15)16(23)18-12-4-2-3-11(9-12)13-5-6-14(22)20-19-13/h2-9H,10H2,1H3,(H,18,23)(H,20,22).
What are the key properties of 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea?
1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 341.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 71865826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).