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

C13H18ClN3S2 — CID 62047327

IUPAC5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccc(Cl)s2)s1
InChIInChI=1S/C13H18ClN3S2/c1-3-17(4-2)13-16-9-11(19-13)8-15-7-10-5-6-12(14)18-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyLNRSUFYTAOTWNB-UHFFFAOYSA-N
MW315.90 g/mol
LogP3.99
Rot. Bonds7

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

5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (PubChem CID 62047327) has the molecular formula C13H18ClN3S2 and a molecular weight of 315.90 g/mol. Its IUPAC name is 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
PubChem CID62047327
Molecular FormulaC13H18ClN3S2
Molecular Weight315.90 g/mol
Exact Mass315.06
IUPAC Name5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
SMILESCCN(CC)c1ncc(CNCc2ccc(Cl)s2)s1
InChIInChI=1S/C13H18ClN3S2/c1-3-17(4-2)13-16-9-11(19-13)8-15-7-10-5-6-12(14)18-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyLNRSUFYTAOTWNB-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.90
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115595001
N,N-diethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43761852
N,N-diethyl-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 43770454
1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
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-[(2-phenylpropylamino)methyl]-1,3-thiazol-2-amine
CID 43769127
5-[(3-chloro-2-methylanilino)methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 43758575
N,N-diethyl-5-[[(1-methylcyclopentyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 55261395
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine (CID 62047327) is 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCc2ccc(Cl)s2)s1.
What is the InChIKey of 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
The InChIKey is LNRSUFYTAOTWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S2/c1-3-17(4-2)13-16-9-11(19-13)8-15-7-10-5-6-12(14)18-10/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine?
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine has a molecular weight of 315.90 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62047327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).