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

C22H25N3OS — CID 25167491

IUPACN-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN(C)C)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C22H25N3OS/c1-15-5-7-17(8-6-15)18-11-19(21(26)24-16(2)14-25(3)4)13-20(12-18)22-23-9-10-27-22/h5-13,16H,14H2,1-4H3,(H,24,26)
InChIKeyGUVOYIJXBUCRQV-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.47
Rot. Bonds6

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

N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 25167491) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID25167491
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)CN(C)C)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C22H25N3OS/c1-15-5-7-17(8-6-15)18-11-19(21(26)24-16(2)14-25(3)4)13-20(12-18)22-23-9-10-27-22/h5-13,16H,14H2,1-4H3,(H,24,26)
InChIKeyGUVOYIJXBUCRQV-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (CID 25167491) is N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)CN(C)C)cc(-c3nccs3)c2)cc1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is GUVOYIJXBUCRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15-5-7-17(8-6-15)18-11-19(21(26)24-16(2)14-25(3)4)13-20(12-18)22-23-9-10-27-22/h5-13,16H,14H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 379.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 25167491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).