4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine

C16H21N3OS — CID 110538404

IUPAC4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C\c2ccc(OCC(C)C)cc2)sc1C
InChIInChI=1S/C16H21N3OS/c1-11(2)10-20-15-7-5-14(6-8-15)9-17-19-16-18-12(3)13(4)21-16/h5-9,11H,10H2,1-4H3,(H,18,19)/b17-9-
InChIKeyQQEHZODUXSLMDH-MFOYZWKCSA-N
MW303.43 g/mol
LogP4.24
Rot. Bonds6

About 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine

4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110538404) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID110538404
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C\c2ccc(OCC(C)C)cc2)sc1C
InChIInChI=1S/C16H21N3OS/c1-11(2)10-20-15-7-5-14(6-8-15)9-17-19-16-18-12(3)13(4)21-16/h5-9,11H,10H2,1-4H3,(H,18,19)/b17-9-
InChIKeyQQEHZODUXSLMDH-MFOYZWKCSA-N
XLogP4.24
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 7228787
N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532880
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27277699
6-methyl-5-[(2E)-2-[[4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110514489
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110537631
4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 139030148
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
[4-[(Z)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2,6-difluorobenzoate
CID 126024607
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 2787959
1-ethyl-3-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]thiourea
CID 7710540

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 110538404) is 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1nc(N/N=C\c2ccc(OCC(C)C)cc2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is QQEHZODUXSLMDH-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(2)10-20-15-7-5-14(6-8-15)9-17-19-16-18-12(3)13(4)21-16/h5-9,11H,10H2,1-4H3,(H,18,19)/b17-9-.
What are the key properties of 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110538404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).