methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate

C12H18N2O2S — CID 115424580

IUPACmethyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)CC2CC2C)sc1C
InChIInChI=1S/C12H18N2O2S/c1-7-5-9(7)6-14(3)12-13-10(8(2)17-12)11(15)16-4/h7,9H,5-6H2,1-4H3
InChIKeyZQOBJCKJCIPJBM-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.33
Rot. Bonds4

About methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 115424580) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID115424580
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namemethyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)CC2CC2C)sc1C
InChIInChI=1S/C12H18N2O2S/c1-7-5-9(7)6-14(3)12-13-10(8(2)17-12)11(15)16-4/h7,9H,5-6H2,1-4H3
InChIKeyZQOBJCKJCIPJBM-UHFFFAOYSA-N
XLogP2.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate
CID 113307093
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 115422925
methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 115423333
4-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 63864928
ethyl 5-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 116526836
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
methyl 2-[(3-methoxyphenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424187
methyl 2-[(3-fluorophenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423413
methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 115424090
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422814
methyl 2-(N,2-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306884

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate (CID 115424580) is methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)CC2CC2C)sc1C.
What is the InChIKey of methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZQOBJCKJCIPJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-5-9(7)6-14(3)12-13-10(8(2)17-12)11(15)16-4/h7,9H,5-6H2,1-4H3.
What are the key properties of methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).