[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone

C17H21N5OS — CID 136533829

IUPAC[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone
SMILESCN(Cc1nccs1)C1CC12CCN(C(=O)c1cncnc1)CC2
InChIInChI=1S/C17H21N5OS/c1-21(11-15-20-4-7-24-15)14-8-17(14)2-5-22(6-3-17)16(23)13-9-18-12-19-10-13/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3
InChIKeyRDWZWVMMIGLVEQ-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.06
Rot. Bonds4

About [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone

[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone (PubChem CID 136533829) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone
PubChem CID136533829
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone
SMILESCN(Cc1nccs1)C1CC12CCN(C(=O)c1cncnc1)CC2
InChIInChI=1S/C17H21N5OS/c1-21(11-15-20-4-7-24-15)14-8-17(14)2-5-22(6-3-17)16(23)13-9-18-12-19-10-13/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3
InChIKeyRDWZWVMMIGLVEQ-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
CID 129476463
cyclopenten-1-yl-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
CID 129351892
[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(1,2-oxazol-3-yl)methanone
CID 129476911
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
CID 129475730
(3-methyl-1,2-thiazol-4-yl)-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]methanone
CID 128991705
1-methyl-5-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]pyrrole-3-carbonitrile
CID 128974925
6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one
CID 129473867
1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one
CID 129474806
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(oxan-4-yl)-6-azaspiro[2.5]octane-6-carboxamide
CID 129330786
(2S)-N-(2-methyl-4-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
CID 129343177
(2R)-N-(6-methyl-2-pyridinyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
CID 129474938
(2R)-N-(4-methyl-1,2-oxazol-3-yl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxamide
CID 129343673

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone (CID 136533829) is [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone is CN(Cc1nccs1)C1CC12CCN(C(=O)c1cncnc1)CC2.
What is the InChIKey of [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone?
The InChIKey is RDWZWVMMIGLVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-21(11-15-20-4-7-24-15)14-8-17(14)2-5-22(6-3-17)16(23)13-9-18-12-19-10-13/h4,7,9-10,12,14H,2-3,5-6,8,11H2,1H3.
What are the key properties of [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone?
[2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone has a molecular weight of 343.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 136533829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).