N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine

C14H23N5S — CID 104627065

IUPACN,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCCc2ccn(C)n2)s1
InChIInChI=1S/C14H23N5S/c1-4-19(5-2)14-16-11-13(20-14)10-15-8-6-12-7-9-18(3)17-12/h7,9,11,15H,4-6,8,10H2,1-3H3
InChIKeyBJIPLYYYYVQVPT-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.06
Rot. Bonds8

About N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 104627065) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
PubChem CID104627065
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC NameN,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCCc2ccn(C)n2)s1
InChIInChI=1S/C14H23N5S/c1-4-19(5-2)14-16-11-13(20-14)10-15-8-6-12-7-9-18(3)17-12/h7,9,11,15H,4-6,8,10H2,1-3H3
InChIKeyBJIPLYYYYVQVPT-UHFFFAOYSA-N
XLogP2.06
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.06
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

N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
N,N-diethyl-5-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 62197781
N,N-diethyl-5-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 43777642
N-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757506
N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115595001
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103081048
5-[[(1,4-dimethylpiperidin-4-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 103992131
N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine (CID 104627065) is N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCCc2ccn(C)n2)s1.
What is the InChIKey of N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is BJIPLYYYYVQVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-4-19(5-2)14-16-11-13(20-14)10-15-8-6-12-7-9-18(3)17-12/h7,9,11,15H,4-6,8,10H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104627065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).