(4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine

C18H25N5OS — CID 98897277

IUPAC(4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCc1ncsc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2
InChIInChI=1S/C18H25N5OS/c1-14-16(25-13-21-14)12-23-8-4-18(5-9-23)11-15(3-10-24-18)22-17-19-6-2-7-20-17/h2,6-7,13,15H,3-5,8-12H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyOZSOUZDDCQUHBS-OAHLLOKOSA-N
MW359.50 g/mol
LogP2.87
Rot. Bonds4

About (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine

(4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine (PubChem CID 98897277) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name(4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
PubChem CID98897277
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
SMILESCc1ncsc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2
InChIInChI=1S/C18H25N5OS/c1-14-16(25-13-21-14)12-23-8-4-18(5-9-23)11-15(3-10-24-18)22-17-19-6-2-7-20-17/h2,6-7,13,15H,3-5,8-12H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyOZSOUZDDCQUHBS-OAHLLOKOSA-N
XLogP2.87
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5R,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847734
1,9-Dioxaspiro[5.5]undec-4-yl[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amine
CID 70771102
1,9-Dioxaspiro[5.5]undec-4-yl[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]amine
CID 70784689
(4R)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579645
(4S)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579646
(4R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96581370
(4S)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96581371
(3R,5R)-N-pyrimidin-2-yl-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371682
(3S,5R)-N-pyrimidin-2-yl-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371683
(3R,5S)-N-pyrimidin-2-yl-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371684
(3S,5S)-N-pyrimidin-2-yl-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371685
4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450759

Frequently Asked Questions

What is the IUPAC name of (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The IUPAC name of (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine (CID 98897277) is (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine is Cc1ncsc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2.
What is the InChIKey of (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
The InChIKey is OZSOUZDDCQUHBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-16(25-13-21-14)12-23-8-4-18(5-9-23)11-15(3-10-24-18)22-17-19-6-2-7-20-17/h2,6-7,13,15H,3-5,8-12H2,1H3,(H,19,20,22)/t15-/m1/s1.
What are the key properties of (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine?
(4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine has a molecular weight of 359.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 98897277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).