1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea

C15H16N6OS — CID 86797483

IUPAC1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea
SMILESCN(Cc1cscn1)C(=O)Nc1cccc(-c2ncn(C)n2)c1
InChIInChI=1S/C15H16N6OS/c1-20(7-13-8-23-10-17-13)15(22)18-12-5-3-4-11(6-12)14-16-9-21(2)19-14/h3-6,8-10H,7H2,1-2H3,(H,18,22)
InChIKeyZSYVCDSGSSGOPH-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.60
Rot. Bonds4

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

1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 86797483) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea
PubChem CID86797483
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea
SMILESCN(Cc1cscn1)C(=O)Nc1cccc(-c2ncn(C)n2)c1
InChIInChI=1S/C15H16N6OS/c1-20(7-13-8-23-10-17-13)15(22)18-12-5-3-4-11(6-12)14-16-9-21(2)19-14/h3-6,8-10H,7H2,1-2H3,(H,18,22)
InChIKeyZSYVCDSGSSGOPH-UHFFFAOYSA-N
XLogP2.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796209
4-ethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 136522591
1-[(2R)-2-cyanopropyl]-1-ethyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 99715508
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 126792281
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
(2R)-2-methyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 99715599
1-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 86797527
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
CID 56567860
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883845
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea (CID 86797483) is 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea is CN(Cc1cscn1)C(=O)Nc1cccc(-c2ncn(C)n2)c1.
What is the InChIKey of 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is ZSYVCDSGSSGOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-20(7-13-8-23-10-17-13)15(22)18-12-5-3-4-11(6-12)14-16-9-21(2)19-14/h3-6,8-10H,7H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea?
1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 328.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 86797483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).