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

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

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Related Compounds

(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
N-[[1-(6-methylquinoline-3-carbonyl)azetidin-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 167856464
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 141197607
[(2S,6R)-2,6-dimethylazepan-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 99811059
(2,6-dimethylazepan-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 102558162
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 94020775
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 95160462
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
(4-imidazol-1-ylpiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 51107649
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947

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).