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

C10H10ClN3O2S2 — CID 47406332

IUPACmethyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2cscn2)nc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c1-14(3-6-4-17-5-12-6)10-13-8(11)7(18-10)9(15)16-2/h4-5H,3H2,1-2H3
InChIKeyUKNLANHHKHSGMI-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.68
Rot. Bonds4

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

methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 47406332) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID47406332
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Namemethyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)Cc2cscn2)nc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c1-14(3-6-4-17-5-12-6)10-13-8(11)7(18-10)9(15)16-2/h4-5H,3H2,1-2H3
InChIKeyUKNLANHHKHSGMI-UHFFFAOYSA-N
XLogP2.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate (CID 47406332) is methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)Cc2cscn2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is UKNLANHHKHSGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-14(3-6-4-17-5-12-6)10-13-8(11)7(18-10)9(15)16-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 303.80 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47406332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).