(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H24N6OS — CID 95719042

IUPAC(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C18H24N6OS/c25-16(14-10-18(12-23-14)3-8-19-9-4-18)22-7-2-13-11-26-17(24-13)15-20-5-1-6-21-15/h1,5-6,11,14,19,23H,2-4,7-10,12H2,(H,22,25)/t14-/m1/s1
InChIKeyBFAPVYCLHFJSIX-CQSZACIVSA-N
MW372.50 g/mol
LogP0.99
Rot. Bonds5

About (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95719042) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95719042
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C18H24N6OS/c25-16(14-10-18(12-23-14)3-8-19-9-4-18)22-7-2-13-11-26-17(24-13)15-20-5-1-6-21-15/h1,5-6,11,14,19,23H,2-4,7-10,12H2,(H,22,25)/t14-/m1/s1
InChIKeyBFAPVYCLHFJSIX-CQSZACIVSA-N
XLogP0.99
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56910669
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724857
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 70788117
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895551
2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118775327
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
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CID 47059621
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132
3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 91789084
N-methylsulfanyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 123831691
(4R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95719042) is (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCc1csc(-c2ncccn2)n1)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is BFAPVYCLHFJSIX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6OS/c25-16(14-10-18(12-23-14)3-8-19-9-4-18)22-7-2-13-11-26-17(24-13)15-20-5-1-6-21-15/h1,5-6,11,14,19,23H,2-4,7-10,12H2,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 372.50 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95719042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).