N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C17H15N3O2S — CID 136727629

IUPACN-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N/N=C\c2ccc3ccccc3c2O)s1
InChIInChI=1S/C17H15N3O2S/c1-10-16(23-11(2)19-10)17(22)20-18-9-13-8-7-12-5-3-4-6-14(12)15(13)21/h3-9,21H,1-2H3,(H,20,22)/b18-9-
InChIKeyWERRJNSPRHAHLZ-NVMNQCDNSA-N
MW325.39 g/mol
LogP3.38
Rot. Bonds3

About N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 136727629) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID136727629
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N/N=C\c2ccc3ccccc3c2O)s1
InChIInChI=1S/C17H15N3O2S/c1-10-16(23-11(2)19-10)17(22)20-18-9-13-8-7-12-5-3-4-6-14(12)15(13)21/h3-9,21H,1-2H3,(H,20,22)/b18-9-
InChIKeyWERRJNSPRHAHLZ-NVMNQCDNSA-N
XLogP3.38
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136732798
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110337125
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110338558
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
CID 4252787
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N-[(4-bromophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2337797
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 5177464

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 136727629) is N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N/N=C\c2ccc3ccccc3c2O)s1.
What is the InChIKey of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WERRJNSPRHAHLZ-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-16(23-11(2)19-10)17(22)20-18-9-13-8-7-12-5-3-4-6-14(12)15(13)21/h3-9,21H,1-2H3,(H,20,22)/b18-9-.
What are the key properties of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136727629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).