1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine

C16H20N4S2 — CID 70777870

IUPAC1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCc1nc(C)c(Cn2ccnc2-c2cc(CN(C)C)cs2)s1
InChIInChI=1S/C16H20N4S2/c1-11-15(22-12(2)18-11)9-20-6-5-17-16(20)14-7-13(10-21-14)8-19(3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyBBGLQWBZQWLKQO-UHFFFAOYSA-N
MW332.50 g/mol
LogP3.79
Rot. Bonds5

About 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine

1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 70777870) has the molecular formula C16H20N4S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID70777870
Molecular FormulaC16H20N4S2
Molecular Weight332.50 g/mol
Exact Mass332.11
IUPAC Name1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCc1nc(C)c(Cn2ccnc2-c2cc(CN(C)C)cs2)s1
InChIInChI=1S/C16H20N4S2/c1-11-15(22-12(2)18-11)9-20-6-5-17-16(20)14-7-13(10-21-14)8-19(3)4/h5-7,10H,8-9H2,1-4H3
InChIKeyBBGLQWBZQWLKQO-UHFFFAOYSA-N
XLogP3.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine (CID 70777870) is 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine is Cc1nc(C)c(Cn2ccnc2-c2cc(CN(C)C)cs2)s1.
What is the InChIKey of 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is BBGLQWBZQWLKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S2/c1-11-15(22-12(2)18-11)9-20-6-5-17-16(20)14-7-13(10-21-14)8-19(3)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 332.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70777870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).