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

methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307008
methyl 4-chloro-2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylate
CID 133431019
methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate
CID 60845621
methyl 4-chloro-2-(4-ethyl-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62003650
methyl 4-chloro-2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazole-5-carboxylate
CID 80707719
methyl 4-chloro-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 63706083
4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 78979678
methyl 4-chloro-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-thiazole-5-carboxylate
CID 114951069
methyl 4-chloro-2-[methyl(pentan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 60843891
methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate
CID 61450412
methyl 4-chloro-2-(4-cyano-N-methylanilino)-1,3-thiazole-5-carboxylate
CID 62982034
methyl 4-chloro-2-[methyl(oxan-3-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 63705748

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).