N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine

C19H17N5OS — CID 162673657

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3nc4ccccc4n3C)cs2)cc1
InChIInChI=1S/C19H17N5OS/c1-24-17-6-4-3-5-15(17)21-18(24)16-12-26-19(22-16)23-20-11-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,22,23)/b20-11-
InChIKeyHJQPWLHAZVCLRH-JAIQZWGSSA-N
MW363.45 g/mol
LogP4.15
Rot. Bonds5

About N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine

N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 162673657) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID162673657
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3nc4ccccc4n3C)cs2)cc1
InChIInChI=1S/C19H17N5OS/c1-24-17-6-4-3-5-15(17)21-18(24)16-12-26-19(22-16)23-20-11-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,22,23)/b20-11-
InChIKeyHJQPWLHAZVCLRH-JAIQZWGSSA-N
XLogP4.15
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
CID 6618978
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 665365
2-[4-Allyl-5-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-1H-benzoimidazole
CID 1241061
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
2-[[5-(4-Methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2103544
N-1,3-benzothiazol-2-yl-2-{[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 2196101
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
CID 2196287
2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2516206
2-[4-Allyl-5-(3-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-1H-benzoimidazole
CID 3809942
2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-methoxybenzylidene)acetohydrazide
CID 9618040
3-(4-methoxyphenyl)-10-methyl-2H-[1,3,4]thiadiazino[3,2-a]benzimidazol-10-ium bromide
CID 15740787

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine (CID 162673657) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine is COc1ccc(/C=N\Nc2nc(-c3nc4ccccc4n3C)cs2)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is HJQPWLHAZVCLRH-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-24-17-6-4-3-5-15(17)21-18(24)16-12-26-19(22-16)23-20-11-13-7-9-14(25-2)10-8-13/h3-12H,1-2H3,(H,22,23)/b20-11-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 363.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162673657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).