[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate

C15H18N4O3S — CID 2818572

IUPAC[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
SMILESCc1nc(COc2ccc(C(N)=NOC(=O)N(C)C)cc2)cs1
InChIInChI=1S/C15H18N4O3S/c1-10-17-12(9-23-10)8-21-13-6-4-11(5-7-13)14(16)18-22-15(20)19(2)3/h4-7,9H,8H2,1-3H3,(H2,16,18)
InChIKeyRECQXCOLULOJBG-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.35
Rot. Bonds5

About [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate

[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate (PubChem CID 2818572) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
PubChem CID2818572
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate
SMILESCc1nc(COc2ccc(C(N)=NOC(=O)N(C)C)cc2)cs1
InChIInChI=1S/C15H18N4O3S/c1-10-17-12(9-23-10)8-21-13-6-4-11(5-7-13)14(16)18-22-15(20)19(2)3/h4-7,9H,8H2,1-3H3,(H2,16,18)
InChIKeyRECQXCOLULOJBG-UHFFFAOYSA-N
XLogP2.35
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 29202246
(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
CID 118975002
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N'-hydroxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimidamide
CID 77103772
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-(2-anilino-2-oxoethyl)-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46418251
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46611968
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081

Frequently Asked Questions

What is the IUPAC name of [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate?
The IUPAC name of [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate (CID 2818572) is [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate.
What is the SMILES notation for [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate?
The canonical SMILES for [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate is Cc1nc(COc2ccc(C(N)=NOC(=O)N(C)C)cc2)cs1.
What is the InChIKey of [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate?
The InChIKey is RECQXCOLULOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-17-12(9-23-10)8-21-13-6-4-11(5-7-13)14(16)18-22-15(20)19(2)3/h4-7,9H,8H2,1-3H3,(H2,16,18).
What are the key properties of [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate?
[[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate has a molecular weight of 334.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]amino] N,N-dimethylcarbamate is sourced from PubChem (CID 2818572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).