3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine

C10H11N3S — CID 13338584

IUPAC3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine
SMILESNc1ccc2c(c1)N1CCCN=C1S2
InChIInChI=1S/C10H11N3S/c11-7-2-3-9-8(6-7)13-5-1-4-12-10(13)14-9/h2-3,6H,1,4-5,11H2
InChIKeyQTXOVTCIKWLVOS-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.94
Rot. Bonds

About 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine

3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine (PubChem CID 13338584) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine
PubChem CID13338584
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine
SMILESNc1ccc2c(c1)N1CCCN=C1S2
InChIInChI=1S/C10H11N3S/c11-7-2-3-9-8(6-7)13-5-1-4-12-10(13)14-9/h2-3,6H,1,4-5,11H2
InChIKeyQTXOVTCIKWLVOS-UHFFFAOYSA-N
XLogP1.94
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydroimidazo(2,1-b)benzothiazol-6-amine
CID 658687
3-methylbenzothiazol-2(3H)-one hydrazone
CID 14319
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
3-Methyl-2-benzothiazolone hydrazone
CID 5782694
(1E)-1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea
CID 5754122
3-Methyl-2-benzothiazolinone hydrazone
CID 5359575
1-(3-Methyl-1,3-benzothiazol-2-ylidene)-3-prop-2-enylthiourea
CID 1870934
N-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)aniline
CID 838370
N~1~,N~1~-dimethyl-N~4~-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)benzene-1,4-diamine
CID 838386
3-(Prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-imine
CID 11601451
(4E)-4-(phenylimino)-4H-[1,3,5]triazino[2,1-b][1,3]benzothiazol-2-amine
CID 709394
5-(Dimethylamino)benzo[d]thiazole-2(3H)-thione
CID 753445

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine?
The IUPAC name of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine (CID 13338584) is 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine.
What is the SMILES notation for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine?
The canonical SMILES for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine is Nc1ccc2c(c1)N1CCCN=C1S2.
What is the InChIKey of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine?
The InChIKey is QTXOVTCIKWLVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-7-2-3-9-8(6-7)13-5-1-4-12-10(13)14-9/h2-3,6H,1,4-5,11H2.
What are the key properties of 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine?
3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine has a molecular weight of 205.29 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-7-amine is sourced from PubChem (CID 13338584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).