N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine

C14H21N5OS — CID 154796921

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine
SMILESCCc1cnc(CN(C)c2nnc([C@@H]3CCCO3)n2C)s1
InChIInChI=1S/C14H21N5OS/c1-4-10-8-15-12(21-10)9-18(2)14-17-16-13(19(14)3)11-6-5-7-20-11/h8,11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyPHVYJZVULJCTHC-NSHDSACASA-N
MW307.42 g/mol
LogP2.32
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine (PubChem CID 154796921) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine
PubChem CID154796921
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine
SMILESCCc1cnc(CN(C)c2nnc([C@@H]3CCCO3)n2C)s1
InChIInChI=1S/C14H21N5OS/c1-4-10-8-15-12(21-10)9-18(2)14-17-16-13(19(14)3)11-6-5-7-20-11/h8,11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyPHVYJZVULJCTHC-NSHDSACASA-N
XLogP2.32
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine 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

3-(chloromethyl)-5-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115398211
N-[[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]ethanamine
CID 114353920
3-(oxolan-2-yl)-4-propyl-1,2,4-triazole
CID 115394978
N-cyclobutyl-N-methyl-4-(oxan-2-ylmethyl)-5-[(2R)-oxolan-2-yl]-1,2,4-triazol-3-amine
CID 128602589
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
CID 112596317
2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 114353794
2-[[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]butan-1-amine
CID 114353836
3-(bromomethyl)-4-ethyl-5-(oxolan-2-yl)-1,2,4-triazole
CID 115399474
3-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982924
5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole
CID 131020524
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119896878
3-(oxolan-2-yl)-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353853

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine (CID 154796921) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine is CCc1cnc(CN(C)c2nnc([C@@H]3CCCO3)n2C)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine?
The InChIKey is PHVYJZVULJCTHC-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5OS/c1-4-10-8-15-12(21-10)9-18(2)14-17-16-13(19(14)3)11-6-5-7-20-11/h8,11H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine has a molecular weight of 307.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N,4-dimethyl-5-[(2S)-oxolan-2-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 154796921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).