methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate

C14H18N2O2S2 — CID 80570582

IUPACmethyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)Cc2cccs2)nc1C
InChIInChI=1S/C14H18N2O2S2/c1-9(8-11-6-5-7-19-11)16(3)14-15-10(2)12(20-14)13(17)18-4/h5-7,9H,8H2,1-4H3
InChIKeyZYVFKCXOJTYDCC-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.37
Rot. Bonds5

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

methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80570582) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80570582
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Namemethyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)C(C)Cc2cccs2)nc1C
InChIInChI=1S/C14H18N2O2S2/c1-9(8-11-6-5-7-19-11)16(3)14-15-10(2)12(20-14)13(17)18-4/h5-7,9H,8H2,1-4H3
InChIKeyZYVFKCXOJTYDCC-UHFFFAOYSA-N
XLogP3.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697870
methyl 2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570281
methyl 2-[1-cyclopropylethyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570466
2-chloro-1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392242
5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79494190
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765983
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79494106
2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849189
methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate
CID 113373650
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79490864

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate (CID 80570582) is methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)C(C)Cc2cccs2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZYVFKCXOJTYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9(8-11-6-5-7-19-11)16(3)14-15-10(2)12(20-14)13(17)18-4/h5-7,9H,8H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).