N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine

C14H19N5OS — CID 17121816

IUPACN-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESCOCCCN1CN=C(Nc2nc3ccccc3s2)NC1
InChIInChI=1S/C14H19N5OS/c1-20-8-4-7-19-9-15-13(16-10-19)18-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17,18)
InChIKeyVCLZWXUFTBAYSY-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.92
Rot. Bonds5

About N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine

N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (PubChem CID 17121816) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
PubChem CID17121816
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESCOCCCN1CN=C(Nc2nc3ccccc3s2)NC1
InChIInChI=1S/C14H19N5OS/c1-20-8-4-7-19-9-15-13(16-10-19)18-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17,18)
InChIKeyVCLZWXUFTBAYSY-UHFFFAOYSA-N
XLogP1.92
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)-1,3-benzothiazol-2-amine
CID 2065713
2-(1,3-benzothiazol-2-ylamino)-5-methoxypentanoic acid
CID 81078689
N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108805574
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
N-(3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 60666991
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
2-amino-N-(1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 81081342
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
N-(1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640584
N-(2,5-dihydropyrrol-1-ylmethyl)-1,3-benzothiazol-2-amine
CID 58513843
N-[methyl(phenoxy)phosphoryl]-1,3-benzothiazol-2-amine
CID 71395207
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (CID 17121816) is N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is COCCCN1CN=C(Nc2nc3ccccc3s2)NC1.
What is the InChIKey of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The InChIKey is VCLZWXUFTBAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-20-8-4-7-19-9-15-13(16-10-19)18-14-17-11-5-2-3-6-12(11)21-14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine has a molecular weight of 305.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 17121816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).