methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate

C14H25N3O2S — CID 43776087

IUPACmethyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate
SMILESCCN(CC)c1ncc(CN[C@H](C(=O)OC)C(C)C)s1
InChIInChI=1S/C14H25N3O2S/c1-6-17(7-2)14-16-9-11(20-14)8-15-12(10(3)4)13(18)19-5/h9-10,12,15H,6-8H2,1-5H3/t12-/m0/s1
InChIKeyXLFDRPYYMCIMQW-LBPRGKRZSA-N
MW299.44 g/mol
LogP2.28
Rot. Bonds8

About methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate

methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate (PubChem CID 43776087) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate
PubChem CID43776087
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Namemethyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate
SMILESCCN(CC)c1ncc(CN[C@H](C(=O)OC)C(C)C)s1
InChIInChI=1S/C14H25N3O2S/c1-6-17(7-2)14-16-9-11(20-14)8-15-12(10(3)4)13(18)19-5/h9-10,12,15H,6-8H2,1-5H3/t12-/m0/s1
InChIKeyXLFDRPYYMCIMQW-LBPRGKRZSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 4099293
methyl (2S)-3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 1717063
methyl (2R)-3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 1717064
(2S)-3-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butanoic acid
CID 122049760
(2R)-3-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butanoic acid
CID 122050746
methyl (2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 59721282
(2S)-3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 59721292
methyl (2S)-2-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 59721293
methyl (2S)-3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 59721323
(2R)-3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 70077526
Methyl 3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 72367359
Methyl 2-[(5-methyl-1,3-thiazol-2-yl)amino]acetate
CID 86087502

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate (CID 43776087) is methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate is CCN(CC)c1ncc(CN[C@H](C(=O)OC)C(C)C)s1.
What is the InChIKey of methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate?
The InChIKey is XLFDRPYYMCIMQW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-17(7-2)14-16-9-11(20-14)8-15-12(10(3)4)13(18)19-5/h9-10,12,15H,6-8H2,1-5H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate?
methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate has a molecular weight of 299.44 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate is sourced from PubChem (CID 43776087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).