N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide

C18H18N4O2S — CID 90511952

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)sc1C
InChIInChI=1S/C18H18N4O2S/c1-10-11(2)25-18(20-10)21-16(23)12-8-22(9-12)17(24)14-7-19-15-6-4-3-5-13(14)15/h3-7,12,19H,8-9H2,1-2H3,(H,20,21,23)
InChIKeyIUDCXTZLKQMYPG-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.95
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511952) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511952
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1nc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)sc1C
InChIInChI=1S/C18H18N4O2S/c1-10-11(2)25-18(20-10)21-16(23)12-8-22(9-12)17(24)14-7-19-15-6-4-3-5-13(14)15/h3-7,12,19H,8-9H2,1-2H3,(H,20,21,23)
InChIKeyIUDCXTZLKQMYPG-UHFFFAOYSA-N
XLogP2.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511828
N-[4-(dimethylamino)phenyl]-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511783
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511602
[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 138384229
1-(1H-indole-3-carbonyl)-N-(2-oxothiolan-3-yl)azetidine-3-carboxamide
CID 90511905
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
N-(4-chloro-3-nitrophenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511872
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90511870

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide (CID 90511952) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide is Cc1nc(NC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is IUDCXTZLKQMYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-11(2)25-18(20-10)21-16(23)12-8-22(9-12)17(24)14-7-19-15-6-4-3-5-13(14)15/h3-7,12,19H,8-9H2,1-2H3,(H,20,21,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).