N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

C19H17N3OS2 — CID 24568913

IUPACN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)CCc2cccs2)n1
InChIInChI=1S/C19H17N3OS2/c1-12-18(14-6-2-3-7-15(14)20-12)16-11-25-19(21-16)22-17(23)9-8-13-5-4-10-24-13/h2-7,10-11,20H,8-9H2,1H3,(H,21,22,23)
InChIKeyPEBKVUVJYOCULJ-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.23
Rot. Bonds5

About N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide

N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 24568913) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID24568913
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC NameN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)CCc2cccs2)n1
InChIInChI=1S/C19H17N3OS2/c1-12-18(14-6-2-3-7-15(14)20-12)16-11-25-19(21-16)22-17(23)9-8-13-5-4-10-24-13/h2-7,10-11,20H,8-9H2,1H3,(H,21,22,23)
InChIKeyPEBKVUVJYOCULJ-UHFFFAOYSA-N
XLogP5.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
2-(1-benzofuran-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 166057991
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 146052089
2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 86935773
3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
CID 42931144
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26177070
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135987755
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608215
3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7918438
6-ethyl-5-methyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 46970234
(2S)-2-acetamido-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 46969745
2,6-difluoro-N-[(2S)-3-methyl-1-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 24568899

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide (CID 24568913) is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CCc2cccs2)n1.
What is the InChIKey of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is PEBKVUVJYOCULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-12-18(14-6-2-3-7-15(14)20-12)16-11-25-19(21-16)22-17(23)9-8-13-5-4-10-24-13/h2-7,10-11,20H,8-9H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide?
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 367.50 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 24568913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).