2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide

C12H18N4O3S — CID 69237363

IUPAC2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide
SMILESCc1csc(CC(C)C(=O)NC(CC(N)=O)C(N)=O)n1
InChIInChI=1S/C12H18N4O3S/c1-6(3-10-15-7(2)5-20-10)12(19)16-8(11(14)18)4-9(13)17/h5-6,8H,3-4H2,1-2H3,(H2,13,17)(H2,14,18)(H,16,19)
InChIKeyJBBLNBBSAVDAFB-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.52
Rot. Bonds7

About 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide

2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide (PubChem CID 69237363) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide.

Molecular Properties

Compound Name2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide
PubChem CID69237363
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide
SMILESCc1csc(CC(C)C(=O)NC(CC(N)=O)C(N)=O)n1
InChIInChI=1S/C12H18N4O3S/c1-6(3-10-15-7(2)5-20-10)12(19)16-8(11(14)18)4-9(13)17/h5-6,8H,3-4H2,1-2H3,(H2,13,17)(H2,14,18)(H,16,19)
InChIKeyJBBLNBBSAVDAFB-UHFFFAOYSA-N
XLogP-0.52
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5r,8s,11s)-5-Methyl-8-(Propan-2-Yl)-11-[(1e)-4-Sulfanylbut-1-En-1-Yl]-3,17-Dithia-7,10,14,19,20-Pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-Triene-6,9,13-Trione
CID 42612743
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 16188670
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 39632677
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 45813059
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45887778
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031356
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47035836
2-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53531859
N~1~-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N~1~-methyl-D-leucinamide
CID 56870438
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
CID 70708028
1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-piperidinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide?
The IUPAC name of 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide (CID 69237363) is 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide.
What is the SMILES notation for 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide?
The canonical SMILES for 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide is Cc1csc(CC(C)C(=O)NC(CC(N)=O)C(N)=O)n1.
What is the InChIKey of 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide?
The InChIKey is JBBLNBBSAVDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-6(3-10-15-7(2)5-20-10)12(19)16-8(11(14)18)4-9(13)17/h5-6,8H,3-4H2,1-2H3,(H2,13,17)(H2,14,18)(H,16,19).
What are the key properties of 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide?
2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide has a molecular weight of 298.37 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propanoyl]amino]butanediamide is sourced from PubChem (CID 69237363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).