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

C17H17N3O3S — CID 1245933

IUPACN,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2oc3ccccc3c2C)sc1C(=O)N(C)C
InChIInChI=1S/C17H17N3O3S/c1-9-11-7-5-6-8-12(11)23-13(9)15(21)19-17-18-10(2)14(24-17)16(22)20(3)4/h5-8H,1-4H3,(H,18,19,21)
InChIKeyRPACRJMCMQBJNM-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.46
Rot. Bonds3

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

N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 1245933) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID1245933
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2oc3ccccc3c2C)sc1C(=O)N(C)C
InChIInChI=1S/C17H17N3O3S/c1-9-11-7-5-6-8-12(11)23-13(9)15(21)19-17-18-10(2)14(24-17)16(22)20(3)4/h5-8H,1-4H3,(H,18,19,21)
InChIKeyRPACRJMCMQBJNM-UHFFFAOYSA-N
XLogP3.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.46
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-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide (CID 1245933) is N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2oc3ccccc3c2C)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is RPACRJMCMQBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-11-7-5-6-8-12(11)23-13(9)15(21)19-17-18-10(2)14(24-17)16(22)20(3)4/h5-8H,1-4H3,(H,18,19,21).
What are the key properties of N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.46, 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-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1245933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).