1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

C18H19N3O2S — CID 171518196

IUPAC1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(OCc4cscn4)cc3[nH]2)CC1
InChIInChI=1S/C18H19N3O2S/c1-18(4-5-18)17(22)19-8-13-6-12-2-3-15(7-16(12)21-13)23-9-14-10-24-11-20-14/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyKFCUJBLCDMFSIM-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.62
Rot. Bonds6

About 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 171518196) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID171518196
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(OCc4cscn4)cc3[nH]2)CC1
InChIInChI=1S/C18H19N3O2S/c1-18(4-5-18)17(22)19-8-13-6-12-2-3-15(7-16(12)21-13)23-9-14-10-24-11-20-14/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyKFCUJBLCDMFSIM-UHFFFAOYSA-N
XLogP3.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (CID 171518196) is 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3ccc(OCc4cscn4)cc3[nH]2)CC1.
What is the InChIKey of 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is KFCUJBLCDMFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(4-5-18)17(22)19-8-13-6-12-2-3-15(7-16(12)21-13)23-9-14-10-24-11-20-14/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171518196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).