4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C16H31N3OS — CID 62767731

IUPAC4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CCOC)nc1C(C)(C)C
InChIInChI=1S/C16H31N3OS/c1-7-9-17-12-13-14(16(3,4)5)18-15(21-13)19(8-2)10-11-20-6/h17H,7-12H2,1-6H3
InChIKeyFLQSLSSXGYEKKE-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.41
Rot. Bonds9

About 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62767731) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62767731
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CCOC)nc1C(C)(C)C
InChIInChI=1S/C16H31N3OS/c1-7-9-17-12-13-14(16(3,4)5)18-15(21-13)19(8-2)10-11-20-6/h17H,7-12H2,1-6H3
InChIKeyFLQSLSSXGYEKKE-UHFFFAOYSA-N
XLogP3.41
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.41
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

4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55113095
N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 62767559
N-[[4-tert-butyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362715
4-tert-butyl-2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112848
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117474
4-tert-butyl-N-methyl-N-(2-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514965
N-[[4-tert-butyl-2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82439489
4-tert-butyl-N-(cyclopropylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63938359
2-[bis(2-methoxyethyl)amino]-4-tert-butyl-1,3-thiazole-5-carbaldehyde
CID 62766122
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63514625
N-ethyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767163
4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 107402320

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62767731) is 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(CC)CCOC)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is FLQSLSSXGYEKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-7-9-17-12-13-14(16(3,4)5)18-15(21-13)19(8-2)10-11-20-6/h17H,7-12H2,1-6H3.
What are the key properties of 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-N-(2-methoxyethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).