N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide

C18H16N4O2S2 — CID 22971268

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3ccc4[nH]ccc4c3)s2)o1
InChIInChI=1S/C18H16N4O2S2/c1-2-13-8-20-15(24-13)10-25-16-9-21-18(26-16)22-17(23)12-3-4-14-11(7-12)5-6-19-14/h3-9,19H,2,10H2,1H3,(H,21,22,23)
InChIKeySSZLNIJSSVWPCA-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.72
Rot. Bonds6

About N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide (PubChem CID 22971268) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
PubChem CID22971268
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
SMILESCCc1cnc(CSc2cnc(NC(=O)c3ccc4[nH]ccc4c3)s2)o1
InChIInChI=1S/C18H16N4O2S2/c1-2-13-8-20-15(24-13)10-25-16-9-21-18(26-16)22-17(23)12-3-4-14-11(7-12)5-6-19-14/h3-9,19H,2,10H2,1H3,(H,21,22,23)
InChIKeySSZLNIJSSVWPCA-UHFFFAOYSA-N
XLogP4.72
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide (CID 22971268) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide is CCc1cnc(CSc2cnc(NC(=O)c3ccc4[nH]ccc4c3)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
The InChIKey is SSZLNIJSSVWPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-2-13-8-20-15(24-13)10-25-16-9-21-18(26-16)22-17(23)12-3-4-14-11(7-12)5-6-19-14/h3-9,19H,2,10H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 22971268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).