N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide

C18H19N3O3S — CID 91767960

IUPACN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H19N3O3S/c22-18(13-2-1-12-3-5-19-16(12)7-13)21-15-4-6-23-9-17(15)24-8-14-10-25-11-20-14/h1-3,5,7,10-11,15,17,19H,4,6,8-9H2,(H,21,22)/t15-,17-/m1/s1
InChIKeyBZCJMSSHBZRDRG-NVXWUHKLSA-N
MW357.44 g/mol
LogP2.73
Rot. Bonds5

About N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide (PubChem CID 91767960) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide
PubChem CID91767960
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H19N3O3S/c22-18(13-2-1-12-3-5-19-16(12)7-13)21-15-4-6-23-9-17(15)24-8-14-10-25-11-20-14/h1-3,5,7,10-11,15,17,19H,4,6,8-9H2,(H,21,22)/t15-,17-/m1/s1
InChIKeyBZCJMSSHBZRDRG-NVXWUHKLSA-N
XLogP2.73
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide (CID 91767960) is N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide?
The InChIKey is BZCJMSSHBZRDRG-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-18(13-2-1-12-3-5-19-16(12)7-13)21-15-4-6-23-9-17(15)24-8-14-10-25-11-20-14/h1-3,5,7,10-11,15,17,19H,4,6,8-9H2,(H,21,22)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide?
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 91767960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).