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

C20H23N5OS — CID 118785531

IUPAC3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2cccc(-c3ncc(C)c(N(C)C)n3)c2)n1
InChIInChI=1S/C20H23N5OS/c1-13-10-21-18(23-19(13)24(3)4)15-7-6-8-16(9-15)20(26)25(5)11-17-22-14(2)12-27-17/h6-10,12H,11H2,1-5H3
InChIKeyNSMASGUVJQHKCU-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.56
Rot. Bonds5

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

3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 118785531) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID118785531
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2cccc(-c3ncc(C)c(N(C)C)n3)c2)n1
InChIInChI=1S/C20H23N5OS/c1-13-10-21-18(23-19(13)24(3)4)15-7-6-8-16(9-15)20(26)25(5)11-17-22-14(2)12-27-17/h6-10,12H,11H2,1-5H3
InChIKeyNSMASGUVJQHKCU-UHFFFAOYSA-N
XLogP3.56
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 118785531) is 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CN(C)C(=O)c2cccc(-c3ncc(C)c(N(C)C)n3)c2)n1.
What is the InChIKey of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is NSMASGUVJQHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-10-21-18(23-19(13)24(3)4)15-7-6-8-16(9-15)20(26)25(5)11-17-22-14(2)12-27-17/h6-10,12H,11H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 381.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 118785531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).