N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

C18H21N3OS — CID 131945031

IUPACN-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)c3csc(C(C)C)n3)ccc21
InChIInChI=1S/C18H21N3OS/c1-5-21-12(4)8-13-9-14(6-7-16(13)21)19-17(22)15-10-23-18(20-15)11(2)3/h6-11H,5H2,1-4H3,(H,19,22)
InChIKeyDIWJPCBHNKVEOA-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.80
Rot. Bonds4

About N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 131945031) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID131945031
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)c3csc(C(C)C)n3)ccc21
InChIInChI=1S/C18H21N3OS/c1-5-21-12(4)8-13-9-14(6-7-16(13)21)19-17(22)15-10-23-18(20-15)11(2)3/h6-11H,5H2,1-4H3,(H,19,22)
InChIKeyDIWJPCBHNKVEOA-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-ethyl-2-methylindol-5-yl)propanamide
CID 131907510
N-(1-ethyl-2-methylindol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131932657
methyl 3-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110694272
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
1-(1-ethyl-2-methylindol-5-yl)-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 125174038
N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
CID 131946732
4-(3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-2-methylindol-5-yl)butanamide
CID 16673218
1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 118782846
2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 115377305
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389323

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 131945031) is N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is CCn1c(C)cc2cc(NC(=O)c3csc(C(C)C)n3)ccc21.
What is the InChIKey of N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DIWJPCBHNKVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-5-21-12(4)8-13-9-14(6-7-16(13)21)19-17(22)15-10-23-18(20-15)11(2)3/h6-11H,5H2,1-4H3,(H,19,22).
What are the key properties of N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131945031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).