3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C16H20N2O3S — CID 110728064

IUPAC3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2csc(C(C)C)n2)c1
InChIInChI=1S/C16H20N2O3S/c1-10(2)16-18-12(9-22-16)8-17-15(19)11-5-13(20-3)7-14(6-11)21-4/h5-7,9-10H,8H2,1-4H3,(H,17,19)
InChIKeyIQTZRHPHGVBDSV-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.21
Rot. Bonds6

About 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 110728064) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID110728064
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2csc(C(C)C)n2)c1
InChIInChI=1S/C16H20N2O3S/c1-10(2)16-18-12(9-22-16)8-17-15(19)11-5-13(20-3)7-14(6-11)21-4/h5-7,9-10H,8H2,1-4H3,(H,17,19)
InChIKeyIQTZRHPHGVBDSV-UHFFFAOYSA-N
XLogP3.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
2-(3-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728108
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
2-(3,4-dimethoxyphenyl)-4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56557715
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 110728064) is 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2csc(C(C)C)n2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is IQTZRHPHGVBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10(2)16-18-12(9-22-16)8-17-15(19)11-5-13(20-3)7-14(6-11)21-4/h5-7,9-10H,8H2,1-4H3,(H,17,19).
What are the key properties of 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 320.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 110728064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).