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

C20H21N3OS — CID 56557984

IUPAC2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCC(C)c1nc(CNC(=O)c2ccccc2Nc2ccccc2)cs1
InChIInChI=1S/C20H21N3OS/c1-14(2)20-23-16(13-25-20)12-21-19(24)17-10-6-7-11-18(17)22-15-8-4-3-5-9-15/h3-11,13-14,22H,12H2,1-2H3,(H,21,24)
InChIKeyGDHFVKFLOHEQRZ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.94
Rot. Bonds6

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

2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56557984) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID56557984
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCC(C)c1nc(CNC(=O)c2ccccc2Nc2ccccc2)cs1
InChIInChI=1S/C20H21N3OS/c1-14(2)20-23-16(13-25-20)12-21-19(24)17-10-6-7-11-18(17)22-15-8-4-3-5-9-15/h3-11,13-14,22H,12H2,1-2H3,(H,21,24)
InChIKeyGDHFVKFLOHEQRZ-UHFFFAOYSA-N
XLogP4.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 126799862
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
CID 56803026
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 119066175
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
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 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 56557984) is 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is CC(C)c1nc(CNC(=O)c2ccccc2Nc2ccccc2)cs1.
What is the InChIKey of 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is GDHFVKFLOHEQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14(2)20-23-16(13-25-20)12-21-19(24)17-10-6-7-11-18(17)22-15-8-4-3-5-9-15/h3-11,13-14,22H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 351.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56557984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).