(2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone

C20H27N5OS — CID 155877917

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1ccnc(N2CCCC3(CCCN(C(=O)c4sc(C)nc4C)C3)C2)n1
InChIInChI=1S/C20H27N5OS/c1-14-6-9-21-19(22-14)25-11-5-8-20(13-25)7-4-10-24(12-20)18(26)17-15(2)23-16(3)27-17/h6,9H,4-5,7-8,10-13H2,1-3H3
InChIKeyDKIUDTYWJHNUSA-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.38
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 155877917) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID155877917
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1ccnc(N2CCCC3(CCCN(C(=O)c4sc(C)nc4C)C3)C2)n1
InChIInChI=1S/C20H27N5OS/c1-14-6-9-21-19(22-14)25-11-5-8-20(13-25)7-4-10-24(12-20)18(26)17-15(2)23-16(3)27-17/h6,9H,4-5,7-8,10-13H2,1-3H3
InChIKeyDKIUDTYWJHNUSA-UHFFFAOYSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone (CID 155877917) is (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone is Cc1ccnc(N2CCCC3(CCCN(C(=O)c4sc(C)nc4C)C3)C2)n1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is DKIUDTYWJHNUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-14-6-9-21-19(22-14)25-11-5-8-20(13-25)7-4-10-24(12-20)18(26)17-15(2)23-16(3)27-17/h6,9H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 385.54 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[8-(4-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 155877917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).