5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile

C10H9N3S2 — CID 115675768

IUPAC5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCc2cscn2)s1
InChIInChI=1S/C10H9N3S2/c11-3-9-1-2-10(15-9)5-12-4-8-6-14-7-13-8/h1-2,6-7,12H,4-5H2
InChIKeyNUURBFSADZUJBE-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.37
Rot. Bonds4

About 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile

5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile (PubChem CID 115675768) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile
PubChem CID115675768
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(CNCc2cscn2)s1
InChIInChI=1S/C10H9N3S2/c11-3-9-1-2-10(15-9)5-12-4-8-6-14-7-13-8/h1-2,6-7,12H,4-5H2
InChIKeyNUURBFSADZUJBE-UHFFFAOYSA-N
XLogP2.37
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(pyridin-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675324
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 102835784
5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675946
methyl 2-[5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 82893938
5-[[(4-methylphenyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675383
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
5-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675721
5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
CID 159467647
5-[(2-bromoprop-2-enylamino)methyl]thiophene-2-carbonitrile
CID 115675820
1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61223186
5-[(pentylamino)methyl]thiophene-2-carbonitrile
CID 115675351

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile (CID 115675768) is 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile is N#Cc1ccc(CNCc2cscn2)s1.
What is the InChIKey of 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile?
The InChIKey is NUURBFSADZUJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c11-3-9-1-2-10(15-9)5-12-4-8-6-14-7-13-8/h1-2,6-7,12H,4-5H2.
What are the key properties of 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile?
5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile has a molecular weight of 235.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115675768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).