2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide

C17H24N4OS — CID 18083023

IUPAC2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4OS/c1-4-9-18-16(22)11-21(3)10-15-12-23-17(20-15)19-14-7-5-13(2)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyGUUUXQODDVFNQO-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.15
Rot. Bonds8

About 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide

2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide (PubChem CID 18083023) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
PubChem CID18083023
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H24N4OS/c1-4-9-18-16(22)11-21(3)10-15-12-23-17(20-15)19-14-7-5-13(2)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyGUUUXQODDVFNQO-UHFFFAOYSA-N
XLogP3.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide (CID 18083023) is 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1csc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide?
The InChIKey is GUUUXQODDVFNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-4-9-18-16(22)11-21(3)10-15-12-23-17(20-15)19-14-7-5-13(2)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide?
2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide has a molecular weight of 332.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]amino]-N-propylacetamide is sourced from PubChem (CID 18083023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).