(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C20H34N4OS — CID 95873402

IUPAC(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1nc(C)c(C)s1
InChIInChI=1S/C20H34N4OS/c1-5-10-24-14-20(7-11-23(4)12-8-20)13-17(24)19(25)21-9-6-18-22-15(2)16(3)26-18/h17H,5-14H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyYUXRIGRRKYZZDO-QGZVFWFLSA-N
MW378.59 g/mol
LogP2.61
Rot. Bonds6

About (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95873402) has the molecular formula C20H34N4OS and a molecular weight of 378.59 g/mol. Its IUPAC name is (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95873402
Molecular FormulaC20H34N4OS
Molecular Weight378.59 g/mol
Exact Mass378.25
IUPAC Name(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1nc(C)c(C)s1
InChIInChI=1S/C20H34N4OS/c1-5-10-24-14-20(7-11-23(4)12-8-20)13-17(24)19(25)21-9-6-18-22-15(2)16(3)26-18/h17H,5-14H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyYUXRIGRRKYZZDO-QGZVFWFLSA-N
XLogP2.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95873402) is (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCc1nc(C)c(C)s1.
What is the InChIKey of (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is YUXRIGRRKYZZDO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H34N4OS/c1-5-10-24-14-20(7-11-23(4)12-8-20)13-17(24)19(25)21-9-6-18-22-15(2)16(3)26-18/h17H,5-14H2,1-4H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 378.59 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95873402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).