methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate

C14H14N2O3S2 — CID 71858977

IUPACmethyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CC2)csc1NC(=O)c1scnc1C
InChIInChI=1S/C14H14N2O3S2/c1-7-11(21-6-15-7)12(17)16-13-10(14(18)19-2)9(5-20-13)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,16,17)
InChIKeyOCWHUDKIWHIWIT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.43
Rot. Bonds4

About methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate

methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 71858977) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate
PubChem CID71858977
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Namemethyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CC2)csc1NC(=O)c1scnc1C
InChIInChI=1S/C14H14N2O3S2/c1-7-11(21-6-15-7)12(17)16-13-10(14(18)19-2)9(5-20-13)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,16,17)
InChIKeyOCWHUDKIWHIWIT-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate (CID 71858977) is methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1c(C2CC2)csc1NC(=O)c1scnc1C.
What is the InChIKey of methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is OCWHUDKIWHIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-7-11(21-6-15-7)12(17)16-13-10(14(18)19-2)9(5-20-13)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate?
methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopropyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 71858977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).