1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone

C14H15IN2OS — CID 63838016

IUPAC1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
SMILESCc1ncsc1CN(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H15IN2OS/c1-10-14(19-9-16-10)8-17(2)7-13(18)11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyAWXCCZUBCHYBQQ-UHFFFAOYSA-N
MW386.26 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone

1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone (PubChem CID 63838016) has the molecular formula C14H15IN2OS and a molecular weight of 386.26 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
PubChem CID63838016
Molecular FormulaC14H15IN2OS
Molecular Weight386.26 g/mol
Exact Mass385.99
IUPAC Name1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
SMILESCc1ncsc1CN(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H15IN2OS/c1-10-14(19-9-16-10)8-17(2)7-13(18)11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyAWXCCZUBCHYBQQ-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-1-one
CID 63838556
1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
1-[4-hydroxy-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]ethanone
CID 63836431
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 63821061
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 62051012
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone (CID 63838016) is 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone is Cc1ncsc1CN(C)CC(=O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone?
The InChIKey is AWXCCZUBCHYBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2OS/c1-10-14(19-9-16-10)8-17(2)7-13(18)11-3-5-12(15)6-4-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone?
1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone has a molecular weight of 386.26 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone is sourced from PubChem (CID 63838016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).