N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C16H19N3OS — CID 76888120

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)C2Cc3ccccc3N2)s1
InChIInChI=1S/C16H19N3OS/c1-9-15(21-11(3)17-9)10(2)18-16(20)14-8-12-6-4-5-7-13(12)19-14/h4-7,10,14,19H,8H2,1-3H3,(H,18,20)
InChIKeyPCCHJSLVKYFPCQ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.97
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76888120) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76888120
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)C2Cc3ccccc3N2)s1
InChIInChI=1S/C16H19N3OS/c1-9-15(21-11(3)17-9)10(2)18-16(20)14-8-12-6-4-5-7-13(12)19-14/h4-7,10,14,19H,8H2,1-3H3,(H,18,20)
InChIKeyPCCHJSLVKYFPCQ-UHFFFAOYSA-N
XLogP2.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 61193687
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77045193
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106212683
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155289

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76888120) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1nc(C)c(C(C)NC(=O)C2Cc3ccccc3N2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PCCHJSLVKYFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-9-15(21-11(3)17-9)10(2)18-16(20)14-8-12-6-4-5-7-13(12)19-14/h4-7,10,14,19H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76888120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).