5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine

C16H31N3OS — CID 62766747

IUPAC5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CCC)C(C)C)sc1CNCCOC
InChIInChI=1S/C16H31N3OS/c1-6-8-14-15(12-17-9-11-20-5)21-16(18-14)19(10-7-2)13(3)4/h13,17H,6-12H2,1-5H3
InChIKeyATTSQQARUCADBS-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.46
Rot. Bonds11

About 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine (PubChem CID 62766747) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
PubChem CID62766747
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CCC)C(C)C)sc1CNCCOC
InChIInChI=1S/C16H31N3OS/c1-6-8-14-15(12-17-9-11-20-5)21-16(18-14)19(10-7-2)13(3)4/h13,17H,6-12H2,1-5H3
InChIKeyATTSQQARUCADBS-UHFFFAOYSA-N
XLogP3.46
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.46
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-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767611
4-ethyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767784
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 81064688
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543
5-(aminomethyl)-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766923
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62766894
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63938166
N-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279
5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63864245
N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 62767559
N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62768940
N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63009443

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine (CID 62766747) is 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine is CCCc1nc(N(CCC)C(C)C)sc1CNCCOC.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine?
The InChIKey is ATTSQQARUCADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-6-8-14-15(12-17-9-11-20-5)21-16(18-14)19(10-7-2)13(3)4/h13,17H,6-12H2,1-5H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).