N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide

C20H19N5OS — CID 176678475

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1=CN(c2ncnc3[nH]ccc23)CCS1
InChIInChI=1S/C20H19N5OS/c26-20(24-16-6-5-13-3-1-2-4-14(13)16)17-11-25(9-10-27-17)19-15-7-8-21-18(15)22-12-23-19/h1-4,7-8,11-12,16H,5-6,9-10H2,(H,24,26)(H,21,22,23)
InChIKeyDWWQYDBPGAWUBQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.16
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide (PubChem CID 176678475) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
PubChem CID176678475
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1=CN(c2ncnc3[nH]ccc23)CCS1
InChIInChI=1S/C20H19N5OS/c26-20(24-16-6-5-13-3-1-2-4-14(13)16)17-11-25(9-10-27-17)19-15-7-8-21-18(15)22-12-23-19/h1-4,7-8,11-12,16H,5-6,9-10H2,(H,24,26)(H,21,22,23)
InChIKeyDWWQYDBPGAWUBQ-UHFFFAOYSA-N
XLogP3.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide with MolForge

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Related Compounds

N-(2-aminoethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide;benzene
CID 176678183
(4-hydroxypiperidin-1-yl)-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazin-6-yl]methanone
CID 176678339
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-one
CID 158638880
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
4-[3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70719126
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 96548697
N-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide
CID 176678146
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351001
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95294639

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide (CID 176678475) is N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide is O=C(NC1CCc2ccccc21)C1=CN(c2ncnc3[nH]ccc23)CCS1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
The InChIKey is DWWQYDBPGAWUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-20(24-16-6-5-13-3-1-2-4-14(13)16)17-11-25(9-10-27-17)19-15-7-8-21-18(15)22-12-23-19/h1-4,7-8,11-12,16H,5-6,9-10H2,(H,24,26)(H,21,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1,4-thiazine-6-carboxamide is sourced from PubChem (CID 176678475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).