6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H20N4O2S — CID 17427349

IUPAC6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(c1nc2ccccc2s1)N(C)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H20N4O2S/c1-11(16-18-13-7-5-6-8-14(13)24-16)19(2)10-12-9-15(22)21(4)17(23)20(12)3/h5-9,11H,10H2,1-4H3
InChIKeyKYEPMECUUBGKTO-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.89
Rot. Bonds4

About 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 17427349) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID17427349
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(c1nc2ccccc2s1)N(C)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H20N4O2S/c1-11(16-18-13-7-5-6-8-14(13)24-16)19(2)10-12-9-15(22)21(4)17(23)20(12)3/h5-9,11H,10H2,1-4H3
InChIKeyKYEPMECUUBGKTO-UHFFFAOYSA-N
XLogP1.89
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 17459392
(1R)-1-(1,3-benzothiazol-2-yl)-N-(1,3-benzoxazol-2-ylmethyl)-N-methylethanamine
CID 9048703
3-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-1,2,3-benzotriazin-4-one
CID 9284720
2-[[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135722483
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-pentan-3-ylacetamide
CID 9047967
(1R)-1-(1,3-benzothiazol-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylethanamine
CID 9048224
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-1-morpholin-4-ylethanone
CID 9047276
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17453612
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,3-benzothiazol-2-yl)-N-methylethanamine;dihydrochloride
CID 120752558
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9048246
(5R)-3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9284628
3-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 24505334

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 17427349) is 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(c1nc2ccccc2s1)N(C)Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KYEPMECUUBGKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(16-18-13-7-5-6-8-14(13)24-16)19(2)10-12-9-15(22)21(4)17(23)20(12)3/h5-9,11H,10H2,1-4H3.
What are the key properties of 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 344.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 17427349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).