N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine

C24H19N3OS — CID 6303725

IUPACN-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine
SMILESCc1cc2oc(-c3ccccc3)c/c(=N\Nc3nc4ccccc4s3)c2cc1C
InChIInChI=1S/C24H19N3OS/c1-15-12-18-20(26-27-24-25-19-10-6-7-11-23(19)29-24)14-21(17-8-4-3-5-9-17)28-22(18)13-16(15)2/h3-14H,1-2H3,(H,25,27)/b26-20+
InChIKeyIXVICTBFEMOGIX-LHLOQNFPSA-N
MW397.50 g/mol
LogP6.25
Rot. Bonds3

About N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine

N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine (PubChem CID 6303725) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine
PubChem CID6303725
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC NameN-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine
SMILESCc1cc2oc(-c3ccccc3)c/c(=N\Nc3nc4ccccc4s3)c2cc1C
InChIInChI=1S/C24H19N3OS/c1-15-12-18-20(26-27-24-25-19-10-6-7-11-23(19)29-24)14-21(17-8-4-3-5-9-17)28-22(18)13-16(15)2/h3-14H,1-2H3,(H,25,27)/b26-20+
InChIKeyIXVICTBFEMOGIX-LHLOQNFPSA-N
XLogP6.25
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4E)-4-(1,3-benzothiazol-2-ylhydrazinylidene)-5,7-dimethylchromen-2-yl]-2-methoxyphenol
CID 135752356
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
(4E)-4-(1,3-benzothiazol-2-ylimino)-2-(4-methoxyphenyl)chromen-6-ol
CID 20998308
N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine
CID 4309192
N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine
CID 9017158
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 1396962
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 9017119
N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine
CID 6018983
N-[(3-phenyl-1,4-benzodioxin-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 2322588
5-methyl-2-phenylfuro[3,2-b]pyridine
CID 19023700
N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine
CID 6002699
N-[(3-bromo-4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3531137

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine (CID 6303725) is N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine is Cc1cc2oc(-c3ccccc3)c/c(=N\Nc3nc4ccccc4s3)c2cc1C.
What is the InChIKey of N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine?
The InChIKey is IXVICTBFEMOGIX-LHLOQNFPSA-N. The full InChI is InChI=1S/C24H19N3OS/c1-15-12-18-20(26-27-24-25-19-10-6-7-11-23(19)29-24)14-21(17-8-4-3-5-9-17)28-22(18)13-16(15)2/h3-14H,1-2H3,(H,25,27)/b26-20+.
What are the key properties of N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine?
N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine has a molecular weight of 397.50 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 6303725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).