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

C12H13ClN2O3S — CID 47376983

IUPACmethyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2ccoc2C)nc1Cl
InChIInChI=1S/C12H13ClN2O3S/c1-7-8(4-5-18-7)6-15(2)12-14-10(13)9(19-12)11(16)17-3/h4-5H,6H2,1-3H3
InChIKeyULOORTOPHJQTOY-UHFFFAOYSA-N
MW300.77 g/mol
LogP3.12
Rot. Bonds4

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

methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 47376983) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID47376983
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Namemethyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2ccoc2C)nc1Cl
InChIInChI=1S/C12H13ClN2O3S/c1-7-8(4-5-18-7)6-15(2)12-14-10(13)9(19-12)11(16)17-3/h4-5H,6H2,1-3H3
InChIKeyULOORTOPHJQTOY-UHFFFAOYSA-N
XLogP3.12
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 47257600
CID 47370451
CID 47370451
CID 47370458
CID 47370458
CID 47370799
CID 47370799
CID 47442936
CID 47442936
CID 53273546
CID 53273546
CID 55112277
CID 55112277
CID 55112598
CID 55112598
CID 55113375
CID 55113375
CID 55113813
CID 55113813

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate (CID 47376983) is methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)Cc2ccoc2C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ULOORTOPHJQTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-7-8(4-5-18-7)6-15(2)12-14-10(13)9(19-12)11(16)17-3/h4-5H,6H2,1-3H3.
What are the key properties of methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 300.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47376983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).