1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide

C19H21N3O3S — CID 91767640

IUPAC1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)cccc21
InChIInChI=1S/C19H21N3O3S/c1-22-7-5-14-15(3-2-4-17(14)22)19(23)21-16-6-8-24-10-18(16)25-9-13-11-26-12-20-13/h2-5,7,11-12,16,18H,6,8-10H2,1H3,(H,21,23)/t16-,18-/m1/s1
InChIKeyRIFFOSPBJOGNKI-SJLPKXTDSA-N
MW371.46 g/mol
LogP2.74
Rot. Bonds5

About 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide

1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide (PubChem CID 91767640) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide
PubChem CID91767640
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)cccc21
InChIInChI=1S/C19H21N3O3S/c1-22-7-5-14-15(3-2-4-17(14)22)19(23)21-16-6-8-24-10-18(16)25-9-13-11-26-12-20-13/h2-5,7,11-12,16,18H,6,8-10H2,1H3,(H,21,23)/t16-,18-/m1/s1
InChIKeyRIFFOSPBJOGNKI-SJLPKXTDSA-N
XLogP2.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide (CID 91767640) is 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide is Cn1ccc2c(C(=O)N[C@@H]3CCOC[C@H]3OCc3cscn3)cccc21.
What is the InChIKey of 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide?
The InChIKey is RIFFOSPBJOGNKI-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-22-7-5-14-15(3-2-4-17(14)22)19(23)21-16-6-8-24-10-18(16)25-9-13-11-26-12-20-13/h2-5,7,11-12,16,18H,6,8-10H2,1H3,(H,21,23)/t16-,18-/m1/s1.
What are the key properties of 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide?
1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]indole-4-carboxamide is sourced from PubChem (CID 91767640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).