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

C16H31N3S — CID 63514625

IUPACN-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCN(CC)c1nc(CCC)c(CNCCC)s1
InChIInChI=1S/C16H31N3S/c1-5-9-12-19(8-4)16-18-14(10-6-2)15(20-16)13-17-11-7-3/h17H,5-13H2,1-4H3
InChIKeySBZUEVMHGDJIAQ-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.22
Rot. Bonds11

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

N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 63514625) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID63514625
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCN(CC)c1nc(CCC)c(CNCCC)s1
InChIInChI=1S/C16H31N3S/c1-5-9-12-19(8-4)16-18-14(10-6-2)15(20-16)13-17-11-7-3/h17H,5-13H2,1-4H3
InChIKeySBZUEVMHGDJIAQ-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 62767559
5-(ethylaminomethyl)-N,N,4-tripropyl-1,3-thiazol-2-amine
CID 55112998
N,N,N'-trimethyl-N'-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 63727753
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765926
N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433104
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63938166
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 102998072
N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510022
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987957

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 63514625) is N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCCN(CC)c1nc(CCC)c(CNCCC)s1.
What is the InChIKey of N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is SBZUEVMHGDJIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-5-9-12-19(8-4)16-18-14(10-6-2)15(20-16)13-17-11-7-3/h17H,5-13H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63514625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).