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

C16H21N5S — CID 56760491

IUPAC1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCc1c(Cn2ccnc2-c2cc(CN(C)C)cs2)cnn1C
InChIInChI=1S/C16H21N5S/c1-12-14(8-18-20(12)4)10-21-6-5-17-16(21)15-7-13(11-22-15)9-19(2)3/h5-8,11H,9-10H2,1-4H3
InChIKeySRJLOSFEXZXRDJ-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.76
Rot. Bonds5

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

1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 56760491) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID56760491
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCc1c(Cn2ccnc2-c2cc(CN(C)C)cs2)cnn1C
InChIInChI=1S/C16H21N5S/c1-12-14(8-18-20(12)4)10-21-6-5-17-16(21)15-7-13(11-22-15)9-19(2)3/h5-8,11H,9-10H2,1-4H3
InChIKeySRJLOSFEXZXRDJ-UHFFFAOYSA-N
XLogP2.76
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine (CID 56760491) is 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine is Cc1c(Cn2ccnc2-c2cc(CN(C)C)cs2)cnn1C.
What is the InChIKey of 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is SRJLOSFEXZXRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-12-14(8-18-20(12)4)10-21-6-5-17-16(21)15-7-13(11-22-15)9-19(2)3/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 315.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-2-yl]thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 56760491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).