3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole

C10H10N2S — CID 11608069

IUPAC3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
SMILESc1ccc2c(c1)SC1=NCCCN12
InChIInChI=1S/C10H10N2S/c1-2-5-9-8(4-1)12-7-3-6-11-10(12)13-9/h1-2,4-5H,3,6-7H2
InChIKeyOTZYLKUZVWKKHG-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.36
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole

3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole (PubChem CID 11608069) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
PubChem CID11608069
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole
SMILESc1ccc2c(c1)SC1=NCCCN12
InChIInChI=1S/C10H10N2S/c1-2-5-9-8(4-1)12-7-3-6-11-10(12)13-9/h1-2,4-5H,3,6-7H2
InChIKeyOTZYLKUZVWKKHG-UHFFFAOYSA-N
XLogP2.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroimidazo(2,1-b)benzothiazol-6-amine
CID 658687
3-Methyl-2-benzothiazolone hydrazone hydrochloride
CID 9575839
3-methylbenzothiazol-2(3H)-one hydrazone
CID 14319
3-Methyl-2-benzothiazolinone hydrazone hydrochloride
CID 78041
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
1-(3-Methyl-3H-benzothiazol-2-ylidene)-propane-2-thione
CID 721517
(2S)-2-Phenyl-2,3-dihydroimidazo(2,1-b)(1,3)benzothiazole
CID 17747785
[3-Phenyl-3H-benzothiazol-(2Z)-ylidene]-hydrazine
CID 56642950
3-Methyl-2-benzothiazolone hydrazone
CID 5782694
(2E)-3-(2-mercaptoethyl)-1,3-benzothiazol-2(3H)-one oxime
CID 5405669
3-Prop-2-enyl-1,3-benzothiazole-2-thione
CID 332007
3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
CID 6364530

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole (CID 11608069) is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole is c1ccc2c(c1)SC1=NCCCN12.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
The InChIKey is OTZYLKUZVWKKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-5-9-8(4-1)12-7-3-6-11-10(12)13-9/h1-2,4-5H,3,6-7H2.
What are the key properties of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole?
3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole has a molecular weight of 190.27 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 11608069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).