2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide

C14H16N2O2S — CID 97008574

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCCc3occc32)cs1
InChIInChI=1S/C14H16N2O2S/c1-9-15-10(8-19-9)7-14(17)16-12-3-2-4-13-11(12)5-6-18-13/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyGMVDBJQCHXXJCQ-LBPRGKRZSA-N
MW276.36 g/mol
LogP2.78
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide (PubChem CID 97008574) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
PubChem CID97008574
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCCc3occc32)cs1
InChIInChI=1S/C14H16N2O2S/c1-9-15-10(8-19-9)7-14(17)16-12-3-2-4-13-11(12)5-6-18-13/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyGMVDBJQCHXXJCQ-LBPRGKRZSA-N
XLogP2.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide (CID 97008574) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide is Cc1nc(CC(=O)N[C@H]2CCCc3occc32)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
The InChIKey is GMVDBJQCHXXJCQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-15-10(8-19-9)7-14(17)16-12-3-2-4-13-11(12)5-6-18-13/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide has a molecular weight of 276.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide is sourced from PubChem (CID 97008574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).