N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

C18H21N3OS — CID 77090264

IUPACN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCc1csc(N2CCCC2)n1)C1CCc2ccccc21
InChIInChI=1S/C18H21N3OS/c22-17(16-8-7-13-5-1-2-6-15(13)16)19-11-14-12-23-18(20-14)21-9-3-4-10-21/h1-2,5-6,12,16H,3-4,7-11H2,(H,19,22)
InChIKeyWNVNJRAEZHUGKV-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.09
Rot. Bonds4

About N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 77090264) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID77090264
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(NCc1csc(N2CCCC2)n1)C1CCc2ccccc21
InChIInChI=1S/C18H21N3OS/c22-17(16-8-7-13-5-1-2-6-15(13)16)19-11-14-12-23-18(20-14)21-9-3-4-10-21/h1-2,5-6,12,16H,3-4,7-11H2,(H,19,22)
InChIKeyWNVNJRAEZHUGKV-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
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N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
1-(2,3-dihydro-1H-indene-1-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 77090586
2-[4-[(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 120697858
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 122559408
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CID 46557813
(3R)-6-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97120936
N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
CID 162634908
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 77090264) is N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is O=C(NCc1csc(N2CCCC2)n1)C1CCc2ccccc21.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is WNVNJRAEZHUGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-17(16-8-7-13-5-1-2-6-15(13)16)19-11-14-12-23-18(20-14)21-9-3-4-10-21/h1-2,5-6,12,16H,3-4,7-11H2,(H,19,22).
What are the key properties of N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 77090264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).