N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide

C18H18N4O2S — CID 166290868

IUPACN-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2cc(C(=O)N3CCC3CNC(=O)c3cncs3)[nH]c2c1
InChIInChI=1S/C18H18N4O2S/c1-11-2-3-12-7-15(21-14(12)6-11)18(24)22-5-4-13(22)8-20-17(23)16-9-19-10-25-16/h2-3,6-7,9-10,13,21H,4-5,8H2,1H3,(H,20,23)
InChIKeyYMKBUJATQQEROE-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.58
Rot. Bonds4

About N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 166290868) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID166290868
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc2cc(C(=O)N3CCC3CNC(=O)c3cncs3)[nH]c2c1
InChIInChI=1S/C18H18N4O2S/c1-11-2-3-12-7-15(21-14(12)6-11)18(24)22-5-4-13(22)8-20-17(23)16-9-19-10-25-16/h2-3,6-7,9-10,13,21H,4-5,8H2,1H3,(H,20,23)
InChIKeyYMKBUJATQQEROE-UHFFFAOYSA-N
XLogP2.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide (CID 166290868) is N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ccc2cc(C(=O)N3CCC3CNC(=O)c3cncs3)[nH]c2c1.
What is the InChIKey of N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YMKBUJATQQEROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-2-3-12-7-15(21-14(12)6-11)18(24)22-5-4-13(22)8-20-17(23)16-9-19-10-25-16/h2-3,6-7,9-10,13,21H,4-5,8H2,1H3,(H,20,23).
What are the key properties of N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methyl-1H-indole-2-carbonyl)azetidin-2-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166290868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).