N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

C14H16N4OS2 — CID 2945302

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC1CCc2nc(NC(=O)CSc3ncccn3)sc2C1
InChIInChI=1S/C14H16N4OS2/c1-9-3-4-10-11(7-9)21-14(17-10)18-12(19)8-20-13-15-5-2-6-16-13/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,18,19)
InChIKeyMOBWCWGVWISBRC-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.79
Rot. Bonds4

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2945302) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2945302
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC1CCc2nc(NC(=O)CSc3ncccn3)sc2C1
InChIInChI=1S/C14H16N4OS2/c1-9-3-4-10-11(7-9)21-14(17-10)18-12(19)8-20-13-15-5-2-6-16-13/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,18,19)
InChIKeyMOBWCWGVWISBRC-UHFFFAOYSA-N
XLogP2.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601845
N-(4-phenyl-1,3-thiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 947718
Cambridge id 6914286
CID 2292768
3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 154797839
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 42960957
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2946806
2-[(4-methylpyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 844996
2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2237105
N-(4-methyl(1,3-thiazol-2-yl))-2-(4-phenylpyrimidin-2-ylthio)acetamide
CID 3228873
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 5191719
N-(8-ethylsulfanyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)acetamide
CID 57741217
5-imino-4-methanimidoyl-7,7-dimethyl-N-(4-methylpyrimidin-2-yl)-4,6-dihydro-1,3-benzothiazol-2-amine
CID 123835054

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2945302) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is CC1CCc2nc(NC(=O)CSc3ncccn3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is MOBWCWGVWISBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-9-3-4-10-11(7-9)21-14(17-10)18-12(19)8-20-13-15-5-2-6-16-13/h2,5-6,9H,3-4,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 320.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2945302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).