N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide

C13H15N3O3S — CID 4653584

IUPACN,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)o1
InChIInChI=1S/C13H15N3O3S/c1-7-5-6-9(19-7)11(17)15-13-14-8(2)10(20-13)12(18)16(3)4/h5-6H,1-4H3,(H,14,15,17)
InChIKeyUMAYKDKVZMIMIQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.31
Rot. Bonds3

About N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 4653584) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID4653584
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)o1
InChIInChI=1S/C13H15N3O3S/c1-7-5-6-9(19-7)11(17)15-13-14-8(2)10(20-13)12(18)16(3)4/h5-6H,1-4H3,(H,14,15,17)
InChIKeyUMAYKDKVZMIMIQ-UHFFFAOYSA-N
XLogP2.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide (CID 4653584) is N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)o1.
What is the InChIKey of N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is UMAYKDKVZMIMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-5-6-9(19-7)11(17)15-13-14-8(2)10(20-13)12(18)16(3)4/h5-6H,1-4H3,(H,14,15,17).
What are the key properties of N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4653584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).