N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine

C20H17ClN6OS — CID 143803475

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2cccc(-c3nc4ccccc4s3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H17ClN6OS/c21-18-24-19(26-20(25-18)27-8-10-28-11-9-27)22-14-5-3-4-13(12-14)17-23-15-6-1-2-7-16(15)29-17/h1-7,12H,8-11H2,(H,22,24,25,26)
InChIKeyOZJRLEBSCVYNHH-UHFFFAOYSA-N
MW424.92 g/mol
LogP4.38
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 143803475) has the molecular formula C20H17ClN6OS and a molecular weight of 424.92 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID143803475
Molecular FormulaC20H17ClN6OS
Molecular Weight424.92 g/mol
Exact Mass424.09
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(Nc2cccc(-c3nc4ccccc4s3)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H17ClN6OS/c21-18-24-19(26-20(25-18)27-8-10-28-11-9-27)22-14-5-3-4-13(12-14)17-23-15-6-1-2-7-16(15)29-17/h1-7,12H,8-11H2,(H,22,24,25,26)
InChIKeyOZJRLEBSCVYNHH-UHFFFAOYSA-N
XLogP4.38
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.92
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 143803485
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9456512
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719
3-(1,3-benzothiazol-2-yl)-4-[[4-[2-(1,3-benzothiazol-2-yl)-4-sulfoanilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 57473538
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(3-chlorophenyl)-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580323
2-N-(4-butylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-chloro-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 45133451
4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 143803475) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine is Clc1nc(Nc2cccc(-c3nc4ccccc4s3)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OZJRLEBSCVYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6OS/c21-18-24-19(26-20(25-18)27-8-10-28-11-9-27)22-14-5-3-4-13(12-14)17-23-15-6-1-2-7-16(15)29-17/h1-7,12H,8-11H2,(H,22,24,25,26).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 424.92 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 143803475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).