2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine

C18H19N5OS2 — CID 155491397

IUPAC2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cc3c(s2)C2(CCN(c4nccs4)CC2)OCC3)n1
InChIInChI=1S/C18H19N5OS2/c19-14-1-5-20-16(22-14)13-11-12-2-9-24-18(15(12)26-13)3-7-23(8-4-18)17-21-6-10-25-17/h1,5-6,10-11H,2-4,7-9H2,(H2,19,20,22)
InChIKeyJVYGNUAZPJAWBS-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.31
Rot. Bonds2

About 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine

2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine (PubChem CID 155491397) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine
PubChem CID155491397
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC Name2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cc3c(s2)C2(CCN(c4nccs4)CC2)OCC3)n1
InChIInChI=1S/C18H19N5OS2/c19-14-1-5-20-16(22-14)13-11-12-2-9-24-18(15(12)26-13)3-7-23(8-4-18)17-21-6-10-25-17/h1,5-6,10-11H,2-4,7-9H2,(H2,19,20,22)
InChIKeyJVYGNUAZPJAWBS-UHFFFAOYSA-N
XLogP3.31
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1'-[[2,5-Dimethyl-1-(2-pyridyl)pyrrol-3-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145980714
2-(7,7'-Spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyrimidine
CID 134843513
1-(5-fluoro-2-pyrimidinyl)-2'-(1-methyl-1H-imidazol-2-yl)-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 155505914
2'-(5-Ethyl-2-pyrimidinyl)-1-(3-fluoro-2-pyridinyl)-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 155507347
1-[2-(Trifluoromethyl)-4-pyrimidinyl]-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 163306333
1-[2-(Trifluoromethyl)-4-pyrimidinyl]-6',7'-dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 163319188
2-[4-[[(1R,2R)-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]phenyl]-1,3-thiazole
CID 90148896
5,5-dimethyl-N-[2-[4-(1,3-thiazol-5-yl)phenyl]ethyl]-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine
CID 156379758
5,5-dimethyl-N-[2-[4-(1,3-thiazol-2-yl)phenyl]ethyl]-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine
CID 167409614
5-[(2-Ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine
CID 169138555
5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine
CID 169138660
5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 169138718

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine (CID 155491397) is 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine is Nc1ccnc(-c2cc3c(s2)C2(CCN(c4nccs4)CC2)OCC3)n1.
What is the InChIKey of 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine?
The InChIKey is JVYGNUAZPJAWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c19-14-1-5-20-16(22-14)13-11-12-2-9-24-18(15(12)26-13)3-7-23(8-4-18)17-21-6-10-25-17/h1,5-6,10-11H,2-4,7-9H2,(H2,19,20,22).
What are the key properties of 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine?
2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine has a molecular weight of 385.52 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 155491397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).