5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine

C15H29N3O2S — CID 82943286

IUPAC5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CCOCC)CCOCC)sc1CN
InChIInChI=1S/C15H29N3O2S/c1-4-7-13-14(12-16)21-15(17-13)18(8-10-19-5-2)9-11-20-6-3/h4-12,16H2,1-3H3
InChIKeyLTMNCAAUWSNPLI-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.43
Rot. Bonds12

About 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine (PubChem CID 82943286) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
PubChem CID82943286
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CCOCC)CCOCC)sc1CN
InChIInChI=1S/C15H29N3O2S/c1-4-7-13-14(12-16)21-15(17-13)18(8-10-19-5-2)9-11-20-6-3/h4-12,16H2,1-3H3
InChIKeyLTMNCAAUWSNPLI-UHFFFAOYSA-N
XLogP2.43
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 55225632
N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 82943284
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62769245
5-(aminomethyl)-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766923
[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511117
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767782
5-(aminomethyl)-N-(2-methoxyethyl)-4-(methoxymethyl)-N-(3-methoxypropyl)-1,3-thiazol-2-amine
CID 107510117
5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
CID 62767526

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine (CID 82943286) is 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(CCOCC)CCOCC)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine?
The InChIKey is LTMNCAAUWSNPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-4-7-13-14(12-16)21-15(17-13)18(8-10-19-5-2)9-11-20-6-3/h4-12,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine has a molecular weight of 315.48 g/mol, XLogP of 2.43, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82943286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).