(1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H24N4OS — CID 3234012

IUPAC(1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C18H24N4OS/c1-20-8-2-4-15(20)17(23)22-9-3-5-18(14-22)6-10-21(13-18)12-16-19-7-11-24-16/h2,4,7-8,11H,3,5-6,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyVKYJMVLCDWHNQX-SFHVURJKSA-N
MW344.48 g/mol
LogP2.61
Rot. Bonds3

About (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234012) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234012
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C18H24N4OS/c1-20-8-2-4-15(20)17(23)22-9-3-5-18(14-22)6-10-21(13-18)12-16-19-7-11-24-16/h2,4,7-8,11H,3,5-6,9-10,12-14H2,1H3/t18-/m0/s1
InChIKeyVKYJMVLCDWHNQX-SFHVURJKSA-N
XLogP2.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234012) is (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is VKYJMVLCDWHNQX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-20-8-2-4-15(20)17(23)22-9-3-5-18(14-22)6-10-21(13-18)12-16-19-7-11-24-16/h2,4,7-8,11H,3,5-6,9-10,12-14H2,1H3/t18-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).