N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

C16H17N3O2S — CID 70759936

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3csc(N)n3)oc2c1
InChIInChI=1S/C16H17N3O2S/c1-9-3-4-12-10(2)14(21-13(12)7-9)15(20)18-6-5-11-8-22-16(17)19-11/h3-4,7-8H,5-6H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyQGUNWIDBELIXMO-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 70759936) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID70759936
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCCc3csc(N)n3)oc2c1
InChIInChI=1S/C16H17N3O2S/c1-9-3-4-12-10(2)14(21-13(12)7-9)15(20)18-6-5-11-8-22-16(17)19-11/h3-4,7-8H,5-6H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyQGUNWIDBELIXMO-UHFFFAOYSA-N
XLogP3.06
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Trans-N-(4-(2-(((S)-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)amino)ethyl)cyclohexyl)benzofuran-2-carboxamide
CID 25131138
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 734562
5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770827
N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 774920
Ethyl 2-(benzofuran-2-carboxamido)thiazole-4-carboxylate
CID 2308234
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 903361
N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 1245933
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 1297200
4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
CID 2091972
N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2603902

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 70759936) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCCc3csc(N)n3)oc2c1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is QGUNWIDBELIXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9-3-4-12-10(2)14(21-13(12)7-9)15(20)18-6-5-11-8-22-16(17)19-11/h3-4,7-8H,5-6H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70759936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).