N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide

C15H23N3O3S — CID 51077604

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
SMILESCc1nc(NC(=O)C(C)N2CCC3(CC2)OCCO3)sc1C
InChIInChI=1S/C15H23N3O3S/c1-10-12(3)22-14(16-10)17-13(19)11(2)18-6-4-15(5-7-18)20-8-9-21-15/h11H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyYHXSPWKUKCJDJX-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.93
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide (PubChem CID 51077604) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
PubChem CID51077604
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
SMILESCc1nc(NC(=O)C(C)N2CCC3(CC2)OCCO3)sc1C
InChIInChI=1S/C15H23N3O3S/c1-10-12(3)22-14(16-10)17-13(19)11(2)18-6-4-15(5-7-18)20-8-9-21-15/h11H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyYHXSPWKUKCJDJX-UHFFFAOYSA-N
XLogP1.93
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 34180167
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide
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2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309513
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 55591308
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 166181261
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 55591466
tert-butyl N-[2-[1-[(2R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 97254107
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 55850550
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
(2S)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(methylcarbamoyl)propanamide
CID 35425676
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanamide
CID 102561667

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide (CID 51077604) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide is Cc1nc(NC(=O)C(C)N2CCC3(CC2)OCCO3)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide?
The InChIKey is YHXSPWKUKCJDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-12(3)22-14(16-10)17-13(19)11(2)18-6-4-15(5-7-18)20-8-9-21-15/h11H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide has a molecular weight of 325.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide is sourced from PubChem (CID 51077604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).