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

C12H18N4OS — CID 125443768

IUPAC(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESNc1ncc(C(=O)N2CCC[C@@]3(CCNC3)C2)s1
InChIInChI=1S/C12H18N4OS/c13-11-15-6-9(18-11)10(17)16-5-1-2-12(8-16)3-4-14-7-12/h6,14H,1-5,7-8H2,(H2,13,15)/t12-/m0/s1
InChIKeyQDLDEMRFROPHIZ-LBPRGKRZSA-N
MW266.37 g/mol
LogP0.94
Rot. Bonds1

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

(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 125443768) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID125443768
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESNc1ncc(C(=O)N2CCC[C@@]3(CCNC3)C2)s1
InChIInChI=1S/C12H18N4OS/c13-11-15-6-9(18-11)10(17)16-5-1-2-12(8-16)3-4-14-7-12/h6,14H,1-5,7-8H2,(H2,13,15)/t12-/m0/s1
InChIKeyQDLDEMRFROPHIZ-LBPRGKRZSA-N
XLogP0.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
CID 114031315
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95455811
(2-anilinopyrimidin-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95223316
(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 110485292
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[(5R)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95216869
6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
CID 102849542
2,7-diazaspiro[4.5]decan-7-yl-(3-ethyl-4-pyridinyl)methanone
CID 154762707
6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one
CID 91779787
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95227903
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 125443768) is (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone is Nc1ncc(C(=O)N2CCC[C@@]3(CCNC3)C2)s1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is QDLDEMRFROPHIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4OS/c13-11-15-6-9(18-11)10(17)16-5-1-2-12(8-16)3-4-14-7-12/h6,14H,1-5,7-8H2,(H2,13,15)/t12-/m0/s1.
What are the key properties of (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 266.37 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 125443768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).