2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C16H20N4O2S — CID 91951790

IUPAC2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1c(CC(=O)Nc2nc3c(s2)CC(C)CC3)ncn(C)c1=O
InChIInChI=1S/C16H20N4O2S/c1-9-4-5-11-13(6-9)23-16(18-11)19-14(21)7-12-10(2)15(22)20(3)8-17-12/h8-9H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyXMJHJSPDUUZDCA-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.85
Rot. Bonds3

About 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 91951790) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID91951790
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1c(CC(=O)Nc2nc3c(s2)CC(C)CC3)ncn(C)c1=O
InChIInChI=1S/C16H20N4O2S/c1-9-4-5-11-13(6-9)23-16(18-11)19-14(21)7-12-10(2)15(22)20(3)8-17-12/h8-9H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyXMJHJSPDUUZDCA-UHFFFAOYSA-N
XLogP1.85
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949858
2-(4-fluorophenyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 7597148
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17469606
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 91960298
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
2-(3,4-dimethoxyphenyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 16911849
3-(4-methylphenyl)sulfanyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7254576
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17010819
2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280085
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 39965422
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 47199587

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 91951790) is 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1c(CC(=O)Nc2nc3c(s2)CC(C)CC3)ncn(C)c1=O.
What is the InChIKey of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XMJHJSPDUUZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9-4-5-11-13(6-9)23-16(18-11)19-14(21)7-12-10(2)15(22)20(3)8-17-12/h8-9H,4-7H2,1-3H3,(H,18,19,21).
What are the key properties of 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 91951790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).