1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

C14H17N5S — CID 61349832

IUPAC1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCn1cc(CNC(c2cccs2)c2nccn2C)cn1
InChIInChI=1S/C14H17N5S/c1-18-6-5-15-14(18)13(12-4-3-7-20-12)16-8-11-9-17-19(2)10-11/h3-7,9-10,13,16H,8H2,1-2H3
InChIKeyQRSMQFYKPCGNCM-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.09
Rot. Bonds5

About 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 61349832) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID61349832
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCn1cc(CNC(c2cccs2)c2nccn2C)cn1
InChIInChI=1S/C14H17N5S/c1-18-6-5-15-14(18)13(12-4-3-7-20-12)16-8-11-9-17-19(2)10-11/h3-7,9-10,13,16H,8H2,1-2H3
InChIKeyQRSMQFYKPCGNCM-UHFFFAOYSA-N
XLogP2.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506
1-(1-methylimidazol-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 106392338
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 103917656
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
1-(1-methylimidazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61014093
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 61349832) is 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is Cn1cc(CNC(c2cccs2)c2nccn2C)cn1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is QRSMQFYKPCGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-18-6-5-15-14(18)13(12-4-3-7-20-12)16-8-11-9-17-19(2)10-11/h3-7,9-10,13,16H,8H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 61349832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).