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

C16H25N3S2 — CID 62767058

IUPACN,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)Cc2cccs2)nc1CC
InChIInChI=1S/C16H25N3S2/c1-4-9-17-11-15-14(5-2)18-16(21-15)19(6-3)12-13-8-7-10-20-13/h7-8,10,17H,4-6,9,11-12H2,1-3H3
InChIKeyLGEGTMCSZYLODT-UHFFFAOYSA-N
MW323.53 g/mol
LogP4.29
Rot. Bonds9

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

N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 62767058) has the molecular formula C16H25N3S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID62767058
Molecular FormulaC16H25N3S2
Molecular Weight323.53 g/mol
Exact Mass323.15
IUPAC NameN,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)Cc2cccs2)nc1CC
InChIInChI=1S/C16H25N3S2/c1-4-9-17-11-15-14(5-2)18-16(21-15)19(6-3)12-13-8-7-10-20-13/h7-8,10,17H,4-6,9,11-12H2,1-3H3
InChIKeyLGEGTMCSZYLODT-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.29
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-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62766762
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368931
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 107509773
N-[(5-chlorothiophen-2-yl)methyl]-4-ethyl-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767520
N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768558
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
N,4-diethyl-5-(ethylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62766743
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (CID 62767058) is N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(CC)Cc2cccs2)nc1CC.
What is the InChIKey of N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is LGEGTMCSZYLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S2/c1-4-9-17-11-15-14(5-2)18-16(21-15)19(6-3)12-13-8-7-10-20-13/h7-8,10,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 323.53 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).