(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C16H26N4OS — CID 97482586

IUPAC(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCc1nc(CN2CC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cs1
InChIInChI=1S/C16H26N4OS/c1-13-17-14(10-22-13)9-19-8-6-16(11-19)5-4-7-20(12-16)15(21)18(2)3/h10H,4-9,11-12H2,1-3H3/t16-/m0/s1
InChIKeyQLRGULMKXCBUQX-INIZCTEOSA-N
MW322.48 g/mol
LogP2.42
Rot. Bonds2

About (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 97482586) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID97482586
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCc1nc(CN2CC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cs1
InChIInChI=1S/C16H26N4OS/c1-13-17-14(10-22-13)9-19-8-6-16(11-19)5-4-7-20(12-16)15(21)18(2)3/h10H,4-9,11-12H2,1-3H3/t16-/m0/s1
InChIKeyQLRGULMKXCBUQX-INIZCTEOSA-N
XLogP2.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944
2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472556
furan-2-yl-[(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97483709
furan-2-yl-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131649165
(2,5-dimethylpyrazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155879286
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
2,7-bis[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155847202
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708198
(1-methylpyrrol-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155856719
4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
CID 100903513
(5R)-2-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482624

Frequently Asked Questions

What is the IUPAC name of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 97482586) is (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is Cc1nc(CN2CC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cs1.
What is the InChIKey of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is QLRGULMKXCBUQX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13-17-14(10-22-13)9-19-8-6-16(11-19)5-4-7-20(12-16)15(21)18(2)3/h10H,4-9,11-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 97482586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).