methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate

C12H14N2O3S — CID 113307008

IUPACmethyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C12H14N2O3S/c1-8-9(4-5-17-8)6-14(2)12-13-10(7-18-12)11(15)16-3/h4-5,7H,6H2,1-3H3
InChIKeyPOFRZANWZVBNKT-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.47
Rot. Bonds4

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

methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 113307008) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID113307008
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namemethyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C12H14N2O3S/c1-8-9(4-5-17-8)6-14(2)12-13-10(7-18-12)11(15)16-3/h4-5,7H,6H2,1-3H3
InChIKeyPOFRZANWZVBNKT-UHFFFAOYSA-N
XLogP2.47
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 898753
Ethyl {2-[(2-methyl-3-furoyl)amino]-1,3-thiazol-4-yl}acetate
CID 1247675
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 47018237
(2-Methylfuran-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819117
(3-Methylfuran-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819120
2-[2-(2-Methylfuran-3-amido)-1,3-thiazol-4-yl]acetic acid
CID 16771840
N-Cyclopropyl-2-methyl-N-(4-methyl-1,3-thiazol-2-YL)furan-3-carboxamide
CID 71874597
3-(4-Cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 136540281
Ethyl 2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]-(2,2,2-trifluoroethyl)amino]acetate
CID 56181054
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133382304
N-(furan-2-ylmethyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133382427
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133383675

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate (CID 113307008) is methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)Cc2ccoc2C)n1.
What is the InChIKey of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is POFRZANWZVBNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8-9(4-5-17-8)6-14(2)12-13-10(7-18-12)11(15)16-3/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate?
methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113307008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).