1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea

C15H16N4OS2 — CID 96952425

IUPAC1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCc1cc2sc(NC(=O)N(C)[C@H](C)c3cccnc3)nc2s1
InChIInChI=1S/C15H16N4OS2/c1-9-7-12-13(21-9)17-14(22-12)18-15(20)19(3)10(2)11-5-4-6-16-8-11/h4-8,10H,1-3H3,(H,17,18,20)/t10-/m1/s1
InChIKeyWUFHINWXXIOUHY-SNVBAGLBSA-N
MW332.45 g/mol
LogP4.29
Rot. Bonds3

About 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea

1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 96952425) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID96952425
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCc1cc2sc(NC(=O)N(C)[C@H](C)c3cccnc3)nc2s1
InChIInChI=1S/C15H16N4OS2/c1-9-7-12-13(21-9)17-14(22-12)18-15(20)19(3)10(2)11-5-4-6-16-8-11/h4-8,10H,1-3H3,(H,17,18,20)/t10-/m1/s1
InChIKeyWUFHINWXXIOUHY-SNVBAGLBSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95239166
3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95762797
1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 51945486
1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95296561
6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60597428
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
1-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-1-(1-pyridin-3-ylethyl)urea
CID 56783571
N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide
CID 99622274
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97089202
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea (CID 96952425) is 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea is Cc1cc2sc(NC(=O)N(C)[C@H](C)c3cccnc3)nc2s1.
What is the InChIKey of 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is WUFHINWXXIOUHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-9-7-12-13(21-9)17-14(22-12)18-15(20)19(3)10(2)11-5-4-6-16-8-11/h4-8,10H,1-3H3,(H,17,18,20)/t10-/m1/s1.
What are the key properties of 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea?
1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 332.45 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)-1-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 96952425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).