1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C15H20N4OS — CID 129335279

IUPAC1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1cscc1NC(=O)N(C)C[C@@H]1CCc2nccn2C1
InChIInChI=1S/C15H20N4OS/c1-11-9-21-10-13(11)17-15(20)18(2)7-12-3-4-14-16-5-6-19(14)8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyOYOCNAYLHDVQMU-LBPRGKRZSA-N
MW304.42 g/mol
LogP2.98
Rot. Bonds3

About 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 129335279) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID129335279
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCc1cscc1NC(=O)N(C)C[C@@H]1CCc2nccn2C1
InChIInChI=1S/C15H20N4OS/c1-11-9-21-10-13(11)17-15(20)18(2)7-12-3-4-14-16-5-6-19(14)8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyOYOCNAYLHDVQMU-LBPRGKRZSA-N
XLogP2.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methyl-3-pyridinyl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129341249
1-(4-methylthiophen-3-yl)-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129477594
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129337631
1-methyl-3-(2-methyl-4-pyridinyl)-1-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129330502
N,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-2-carboxamide
CID 129004758
N,2,4-trimethyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
CID 129335641
2-(2,5-dimethylphenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)acetamide
CID 129002931
N-methyl-2-(4-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)acetamide
CID 129006675
N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 129006707
N,1,3,5-tetramethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)pyrazole-4-carboxamide
CID 128966562
1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 129006310
1-hydroxy-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)cyclohexane-1-carboxamide
CID 129006672

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 129335279) is 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is Cc1cscc1NC(=O)N(C)C[C@@H]1CCc2nccn2C1.
What is the InChIKey of 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is OYOCNAYLHDVQMU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-9-21-10-13(11)17-15(20)18(2)7-12-3-4-14-16-5-6-19(14)8-12/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 304.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylthiophen-3-yl)-1-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 129335279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).