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

C19H23N5OS — CID 71802104

IUPAC3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cccc(N(C)C)c3)cs2)n1
InChIInChI=1S/C19H23N5OS/c1-13-10-14(2)24(22-13)19-21-16(12-26-19)8-9-20-18(25)15-6-5-7-17(11-15)23(3)4/h5-7,10-12H,8-9H2,1-4H3,(H,20,25)
InChIKeyTWPXNJQKKVTMMZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.98
Rot. Bonds6

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

3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 71802104) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID71802104
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3cccc(N(C)C)c3)cs2)n1
InChIInChI=1S/C19H23N5OS/c1-13-10-14(2)24(22-13)19-21-16(12-26-19)8-9-20-18(25)15-6-5-7-17(11-15)23(3)4/h5-7,10-12H,8-9H2,1-4H3,(H,20,25)
InChIKeyTWPXNJQKKVTMMZ-UHFFFAOYSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 71802104) is 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3cccc(N(C)C)c3)cs2)n1.
What is the InChIKey of 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is TWPXNJQKKVTMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-10-14(2)24(22-13)19-21-16(12-26-19)8-9-20-18(25)15-6-5-7-17(11-15)23(3)4/h5-7,10-12H,8-9H2,1-4H3,(H,20,25).
What are the key properties of 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide?
3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 71802104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).