6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

C14H12N4S — CID 10587973

IUPAC6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
SMILES[H]/N=c1/c(C#N)c(-c2ccccc2)nc2n1CCCS2
InChIInChI=1S/C14H12N4S/c15-9-11-12(10-5-2-1-3-6-10)17-14-18(13(11)16)7-4-8-19-14/h1-3,5-6,16H,4,7-8H2/b16-13-
InChIKeySSTJRJNJGVZCKU-SSZFMOIBSA-N
MW268.34 g/mol
LogP2.40
Rot. Bonds1

About 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile (PubChem CID 10587973) has the molecular formula C14H12N4S and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile.

Molecular Properties

Compound Name6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
PubChem CID10587973
Molecular FormulaC14H12N4S
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Name6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
SMILES[H]/N=c1/c(C#N)c(-c2ccccc2)nc2n1CCCS2
InChIInChI=1S/C14H12N4S/c15-9-11-12(10-5-2-1-3-6-10)17-14-18(13(11)16)7-4-8-19-14/h1-3,5-6,16H,4,7-8H2/b16-13-
InChIKeySSTJRJNJGVZCKU-SSZFMOIBSA-N
XLogP2.40
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-imino-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 10805770
8-(3-bromophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
CID 17383271
8-(6-methyl-3-pyridinyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
CID 163699581
8-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
CID 135181629
4-oxo-2-(4-propan-2-ylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]thiazepine-3-carbonitrile
CID 7747009
6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile
CID 5018617
5-oxo-7-(4-phenylmethoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 4905932
7-(2-hydroxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 17122068
5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile
CID 10775678
8-(2-cyclopropylpyrimidin-4-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
CID 135181704
7-(3,4-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 895073
6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile
CID 15500623

Frequently Asked Questions

What is the IUPAC name of 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The IUPAC name of 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile (CID 10587973) is 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile.
What is the SMILES notation for 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The canonical SMILES for 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile is [H]/N=c1/c(C#N)c(-c2ccccc2)nc2n1CCCS2.
What is the InChIKey of 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
The InChIKey is SSTJRJNJGVZCKU-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H12N4S/c15-9-11-12(10-5-2-1-3-6-10)17-14-18(13(11)16)7-4-8-19-14/h1-3,5-6,16H,4,7-8H2/b16-13-.
What are the key properties of 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile?
6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile has a molecular weight of 268.34 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile is sourced from PubChem (CID 10587973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).