N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide

C12H17N3OS — CID 175736613

IUPACN-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
SMILESCNC(=O)c1nc2c(s1)CC1(CCNCC1)C2
InChIInChI=1S/C12H17N3OS/c1-13-10(16)11-15-8-6-12(7-9(8)17-11)2-4-14-5-3-12/h14H,2-7H2,1H3,(H,13,16)
InChIKeyIVUXTFZRESVDGS-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.97
Rot. Bonds1

About N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide

N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide (PubChem CID 175736613) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
PubChem CID175736613
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
SMILESCNC(=O)c1nc2c(s1)CC1(CCNCC1)C2
InChIInChI=1S/C12H17N3OS/c1-13-10(16)11-15-8-6-12(7-9(8)17-11)2-4-14-5-3-12/h14H,2-7H2,1H3,(H,13,16)
InChIKeyIVUXTFZRESVDGS-UHFFFAOYSA-N
XLogP0.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
The IUPAC name of N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide (CID 175736613) is N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide is CNC(=O)c1nc2c(s1)CC1(CCNCC1)C2.
What is the InChIKey of N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
The InChIKey is IVUXTFZRESVDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-13-10(16)11-15-8-6-12(7-9(8)17-11)2-4-14-5-3-12/h14H,2-7H2,1H3,(H,13,16).
What are the key properties of N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide?
N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 175736613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).