N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine

C11H10N4S — CID 123852220

IUPACN-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine
SMILESC1=NCCC(Nc2ccc3scnc3c2)=N1
InChIInChI=1S/C11H10N4S/c1-2-10-9(14-7-16-10)5-8(1)15-11-3-4-12-6-13-11/h1-2,5-7H,3-4H2,(H,12,13,15)
InChIKeyCMAVDRDSOYWVSU-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.54
Rot. Bonds1

About N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine

N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine (PubChem CID 123852220) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine
PubChem CID123852220
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC NameN-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine
SMILESC1=NCCC(Nc2ccc3scnc3c2)=N1
InChIInChI=1S/C11H10N4S/c1-2-10-9(14-7-16-10)5-8(1)15-11-3-4-12-6-13-11/h1-2,5-7H,3-4H2,(H,12,13,15)
InChIKeyCMAVDRDSOYWVSU-UHFFFAOYSA-N
XLogP2.54
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine (CID 123852220) is N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine is C1=NCCC(Nc2ccc3scnc3c2)=N1.
What is the InChIKey of N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine?
The InChIKey is CMAVDRDSOYWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-2-10-9(14-7-16-10)5-8(1)15-11-3-4-12-6-13-11/h1-2,5-7H,3-4H2,(H,12,13,15).
What are the key properties of N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine?
N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine has a molecular weight of 230.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 123852220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).