N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H26N4OS — CID 56911500

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCC2)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H26N4OS/c22-16(13-10-17(11-20-13)5-8-18-9-6-17)19-7-4-15-21-12-2-1-3-14(12)23-15/h13,18,20H,1-11H2,(H,19,22)
InChIKeyRWTSMHUOBRDVCG-UHFFFAOYSA-N
MW334.49 g/mol
LogP1.02
Rot. Bonds4

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56911500) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56911500
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCC2)C1CC2(CCNCC2)CN1
InChIInChI=1S/C17H26N4OS/c22-16(13-10-17(11-20-13)5-8-18-9-6-17)19-7-4-15-21-12-2-1-3-14(12)23-15/h13,18,20H,1-11H2,(H,19,22)
InChIKeyRWTSMHUOBRDVCG-UHFFFAOYSA-N
XLogP1.02
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56911500) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCc1nc2c(s1)CCC2)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RWTSMHUOBRDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c22-16(13-10-17(11-20-13)5-8-18-9-6-17)19-7-4-15-21-12-2-1-3-14(12)23-15/h13,18,20H,1-11H2,(H,19,22).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56911500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).