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

C18H19N5OS — CID 2030682

IUPACN-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1
InChIInChI=1S/C18H19N5OS/c1-24-14-8-6-13(7-9-14)10-23-11-19-17(20-12-23)22-18-21-15-4-2-3-5-16(15)25-18/h2-9H,10-12H2,1H3,(H2,19,20,21,22)
InChIKeyGZNBOCCVKCPZCY-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.09
Rot. Bonds4

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

N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (PubChem CID 2030682) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
PubChem CID2030682
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1
InChIInChI=1S/C18H19N5OS/c1-24-14-8-6-13(7-9-14)10-23-11-19-17(20-12-23)22-18-21-15-4-2-3-5-16(15)25-18/h2-9H,10-12H2,1H3,(H2,19,20,21,22)
InChIKeyGZNBOCCVKCPZCY-UHFFFAOYSA-N
XLogP3.09
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

2-(4-Methoxyphenyl)benzothiazole
CID 95753
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine
CID 91769
2-(1-(4-Piperonyl)piperazinyl)benzothiazole
CID 127902
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
2-[4-(Piperidin-1-ylmethyl)phenoxy]-1,3-benzothiazole
CID 11472798
1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-ol
CID 11473281
N-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)acetamide
CID 24901588
1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
CID 24901590
N-(1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)acetamide
CID 24901591

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine (CID 2030682) is N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is COc1ccc(CN2CN=C(Nc3nc4ccccc4s3)NC2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
The InChIKey is GZNBOCCVKCPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-24-14-8-6-13(7-9-14)10-23-11-19-17(20-12-23)22-18-21-15-4-2-3-5-16(15)25-18/h2-9H,10-12H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine?
N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine has a molecular weight of 353.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2030682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).