methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate

C15H27N3O2S — CID 43782238

IUPACmethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate
SMILESCCN(CC)c1ncc(CNC(CC(C)C)C(=O)OC)s1
InChIInChI=1S/C15H27N3O2S/c1-6-18(7-2)15-17-10-12(21-15)9-16-13(8-11(3)4)14(19)20-5/h10-11,13,16H,6-9H2,1-5H3
InChIKeyQRJGPBGRQDSBFC-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.67
Rot. Bonds9

About methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate

methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate (PubChem CID 43782238) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate
PubChem CID43782238
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Namemethyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate
SMILESCCN(CC)c1ncc(CNC(CC(C)C)C(=O)OC)s1
InChIInChI=1S/C15H27N3O2S/c1-6-18(7-2)15-17-10-12(21-15)9-16-13(8-11(3)4)14(19)20-5/h10-11,13,16H,6-9H2,1-5H3
InChIKeyQRJGPBGRQDSBFC-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate with MolForge

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Related Compounds

ethyl (2S)-2-[(4E)-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl]-4-methylpentanoate
CID 136082760
(2R)-4-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122049250
(2S)-4-methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122050071
4-Methyl-2-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
CID 122062495
methyl (2S)-3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 59721323
Methyl 3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 72367359
Methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771551
Ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771838
methyl (2S)-3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate;molecular iodine
CID 90809173
Tert-butyl 4-methyl-2-[(2-methylchloranuidyl-1,3-thiazol-5-yl)methylamino]pentanoate
CID 163422744
Methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]acetate
CID 43756846
methyl (2S)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutanoate
CID 43776087

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate (CID 43782238) is methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate is CCN(CC)c1ncc(CNC(CC(C)C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate?
The InChIKey is QRJGPBGRQDSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-18(7-2)15-17-10-12(21-15)9-16-13(8-11(3)4)14(19)20-5/h10-11,13,16H,6-9H2,1-5H3.
What are the key properties of methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate?
methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate has a molecular weight of 313.47 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate is sourced from PubChem (CID 43782238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).