4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide

C18H17ClN4O3S — CID 46395371

IUPAC4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)o1
InChIInChI=1S/C18H17ClN4O3S/c1-10-6-7-12(26-10)9-22-18(25)16-14(20)15(23-27-16)17(24)21-8-11-4-2-3-5-13(11)19/h2-7H,8-9,20H2,1H3,(H,21,24)(H,22,25)
InChIKeyQMILAYAXWALYQI-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.14
Rot. Bonds6

About 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 46395371) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID46395371
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)o1
InChIInChI=1S/C18H17ClN4O3S/c1-10-6-7-12(26-10)9-22-18(25)16-14(20)15(23-27-16)17(24)21-8-11-4-2-3-5-13(11)19/h2-7H,8-9,20H2,1H3,(H,21,24)(H,22,25)
InChIKeyQMILAYAXWALYQI-UHFFFAOYSA-N
XLogP3.14
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide (CID 46395371) is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide is Cc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)o1.
What is the InChIKey of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is QMILAYAXWALYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-10-6-7-12(26-10)9-22-18(25)16-14(20)15(23-27-16)17(24)21-8-11-4-2-3-5-13(11)19/h2-7H,8-9,20H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 404.88 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 46395371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).