N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C20H21N3OS — CID 78864821

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCc3ccccc32)c(C)n1-c1nccs1
InChIInChI=1S/C20H21N3OS/c1-13-12-17(14(2)23(13)20-21-10-11-25-20)19(24)22(3)18-9-8-15-6-4-5-7-16(15)18/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyPTWBBLPBXJFYAE-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.31
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 78864821) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID78864821
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCc3ccccc32)c(C)n1-c1nccs1
InChIInChI=1S/C20H21N3OS/c1-13-12-17(14(2)23(13)20-21-10-11-25-20)19(24)22(3)18-9-8-15-6-4-5-7-16(15)18/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyPTWBBLPBXJFYAE-UHFFFAOYSA-N
XLogP4.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide
CID 107358584
N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78881613
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78864105
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39977135
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42946251
5-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-3-carboxamide
CID 47159920
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 35205344
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-oxazole-4-carboxamide
CID 138997641
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
CID 42941214
N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyridine-2-carboxamide
CID 42944559
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 119486018
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 78864821) is N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCc3ccccc32)c(C)n1-c1nccs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is PTWBBLPBXJFYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13-12-17(14(2)23(13)20-21-10-11-25-20)19(24)22(3)18-9-8-15-6-4-5-7-16(15)18/h4-7,10-12,18H,8-9H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78864821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).