1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea

C16H18N6OS — CID 75378064

IUPAC1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea
SMILESCNc1nc(CNC(=O)Nc2cccc(-n3ccc(C)n3)c2)cs1
InChIInChI=1S/C16H18N6OS/c1-11-6-7-22(21-11)14-5-3-4-12(8-14)19-15(23)18-9-13-10-24-16(17-2)20-13/h3-8,10H,9H2,1-2H3,(H,17,20)(H2,18,19,23)
InChIKeySYFPRDLSWZQYBX-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.00
Rot. Bonds5

About 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea

1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea (PubChem CID 75378064) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea
PubChem CID75378064
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea
SMILESCNc1nc(CNC(=O)Nc2cccc(-n3ccc(C)n3)c2)cs1
InChIInChI=1S/C16H18N6OS/c1-11-6-7-22(21-11)14-5-3-4-12(8-14)19-15(23)18-9-13-10-24-16(17-2)20-13/h3-8,10H,9H2,1-2H3,(H,17,20)(H2,18,19,23)
InChIKeySYFPRDLSWZQYBX-UHFFFAOYSA-N
XLogP3.00
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea (CID 75378064) is 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea is CNc1nc(CNC(=O)Nc2cccc(-n3ccc(C)n3)c2)cs1.
What is the InChIKey of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea?
The InChIKey is SYFPRDLSWZQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-6-7-22(21-11)14-5-3-4-12(8-14)19-15(23)18-9-13-10-24-16(17-2)20-13/h3-8,10H,9H2,1-2H3,(H,17,20)(H2,18,19,23).
What are the key properties of 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea?
1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea has a molecular weight of 342.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea is sourced from PubChem (CID 75378064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).