propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C16H27N3O3S — CID 108795382

IUPACpropan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCCN(C)CCC(=O)Nc1nc(C)c(C(=O)OC(C)C)s1
InChIInChI=1S/C16H27N3O3S/c1-6-7-9-19(5)10-8-13(20)18-16-17-12(4)14(23-16)15(21)22-11(2)3/h11H,6-10H2,1-5H3,(H,17,18,20)
InChIKeyCVGNYNIXUQDVSY-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.08
Rot. Bonds9

About propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 108795382) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID108795382
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Namepropan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCCCN(C)CCC(=O)Nc1nc(C)c(C(=O)OC(C)C)s1
InChIInChI=1S/C16H27N3O3S/c1-6-7-9-19(5)10-8-13(20)18-16-17-12(4)14(23-16)15(21)22-11(2)3/h11H,6-10H2,1-5H3,(H,17,18,20)
InChIKeyCVGNYNIXUQDVSY-UHFFFAOYSA-N
XLogP3.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 110442608
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
propan-2-yl 2-(dimethylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110443791
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796730
propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
propan-2-yl 2-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 40894348

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 108795382) is propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCCCN(C)CCC(=O)Nc1nc(C)c(C(=O)OC(C)C)s1.
What is the InChIKey of propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CVGNYNIXUQDVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-6-7-9-19(5)10-8-13(20)18-16-17-12(4)14(23-16)15(21)22-11(2)3/h11H,6-10H2,1-5H3,(H,17,18,20).
What are the key properties of propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 341.48 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108795382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).