(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

C17H23N5OS — CID 124811779

IUPAC(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCc1ncsc1CN1CC[C@]2(C[C@@H](Nc3ncccn3)CCO2)C1
InChIInChI=1S/C17H23N5OS/c1-13-15(24-12-20-13)10-22-7-4-17(11-22)9-14(3-8-23-17)21-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,18,19,21)/t14-,17-/m0/s1
InChIKeyUPHKOACPTBECQO-YOEHRIQHSA-N
MW345.47 g/mol
LogP2.48
Rot. Bonds4

About (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 124811779) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID124811779
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCc1ncsc1CN1CC[C@]2(C[C@@H](Nc3ncccn3)CCO2)C1
InChIInChI=1S/C17H23N5OS/c1-13-15(24-12-20-13)10-22-7-4-17(11-22)9-14(3-8-23-17)21-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,18,19,21)/t14-,17-/m0/s1
InChIKeyUPHKOACPTBECQO-YOEHRIQHSA-N
XLogP2.48
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine with MolForge

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Related Compounds

(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371824
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371825
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394659
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394660
(3R,5R)-N-(5-fluoropyrimidin-2-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98813697
(3R,5S)-N-(5-fluoropyrimidin-2-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 98813698
(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818292
(3R,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818293
N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131645560
N-(5-fluoropyrimidin-2-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660198
N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826106
(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

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 124811779) is (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is Cc1ncsc1CN1CC[C@]2(C[C@@H](Nc3ncccn3)CCO2)C1.
What is the InChIKey of (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is UPHKOACPTBECQO-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-15(24-12-20-13)10-22-7-4-17(11-22)9-14(3-8-23-17)21-16-18-5-2-6-19-16/h2,5-6,12,14H,3-4,7-11H2,1H3,(H,18,19,21)/t14-,17-/m0/s1.
What are the key properties of (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 345.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 124811779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).