methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate

C12H21N3O2S — CID 103192406

IUPACmethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCN(c1nc(C(=O)OC)cs1)C(C)CN(C)C
InChIInChI=1S/C12H21N3O2S/c1-6-15(9(2)7-14(3)4)12-13-10(8-18-12)11(16)17-5/h8-9H,6-7H2,1-5H3
InChIKeyBOFFHHHSYKBKGZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.71
Rot. Bonds6

About methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate

methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 103192406) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID103192406
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namemethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCN(c1nc(C(=O)OC)cs1)C(C)CN(C)C
InChIInChI=1S/C12H21N3O2S/c1-6-15(9(2)7-14(3)4)12-13-10(8-18-12)11(16)17-5/h8-9H,6-7H2,1-5H3
InChIKeyBOFFHHHSYKBKGZ-UHFFFAOYSA-N
XLogP1.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate (CID 103192406) is methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate is CCN(c1nc(C(=O)OC)cs1)C(C)CN(C)C.
What is the InChIKey of methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is BOFFHHHSYKBKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-6-15(9(2)7-14(3)4)12-13-10(8-18-12)11(16)17-5/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate?
methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 271.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103192406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).