N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C16H29N3OS — CID 62768558

IUPACN,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CC2CCCO2)nc1CC
InChIInChI=1S/C16H29N3OS/c1-4-9-17-11-15-14(5-2)18-16(21-15)19(6-3)12-13-8-7-10-20-13/h13,17H,4-12H2,1-3H3
InChIKeyZIMBIEGKLLKMOG-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.21
Rot. Bonds9

About N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62768558) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62768558
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CC2CCCO2)nc1CC
InChIInChI=1S/C16H29N3OS/c1-4-9-17-11-15-14(5-2)18-16(21-15)19(6-3)12-13-8-7-10-20-13/h13,17H,4-12H2,1-3H3
InChIKeyZIMBIEGKLLKMOG-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
4-ethyl-N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 82754026
N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62767058
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514625
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63938166
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568
N-[[4-ethyl-2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841390
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-amine
CID 107510450

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62768558) is N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(CC)CC2CCCO2)nc1CC.
What is the InChIKey of N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is ZIMBIEGKLLKMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-9-17-11-15-14(5-2)18-16(21-15)19(6-3)12-13-8-7-10-20-13/h13,17H,4-12H2,1-3H3.
What are the key properties of N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).