7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine

C17H23N5S — CID 98894829

IUPAC7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
SMILESCc1csc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)n1
InChIInChI=1S/C17H23N5S/c1-13-12-23-15(20-13)11-22-7-3-17(4-8-22)9-14(10-17)21-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,18,19,21)
InChIKeyIGFKZKBQZXSZCI-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.10
Rot. Bonds4

About 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine

7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine (PubChem CID 98894829) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
PubChem CID98894829
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
SMILESCc1csc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)n1
InChIInChI=1S/C17H23N5S/c1-13-12-23-15(20-13)11-22-7-3-17(4-8-22)9-14(10-17)21-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,18,19,21)
InChIKeyIGFKZKBQZXSZCI-UHFFFAOYSA-N
XLogP3.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124799648
(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155837507
6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
CID 98894753
N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 98894515
(2-methyl-1,3-thiazol-4-yl)-[2-(pyrimidin-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 98895991
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
(2S)-N-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129473677
(3S,5S)-N-pyrimidin-2-yl-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97371093
(3S,5R)-N-pyrimidin-2-yl-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97371091
N-pyrimidin-2-yl-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131651708
(3R)-8-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419078

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine (CID 98894829) is 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine is Cc1csc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)n1.
What is the InChIKey of 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is IGFKZKBQZXSZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-13-12-23-15(20-13)11-22-7-3-17(4-8-22)9-14(10-17)21-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,18,19,21).
What are the key properties of 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine?
7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 98894829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).