3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride

C12H18ClN5OS — CID 67557079

IUPAC3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride
SMILESCc1nc(CNC(Cc2cn(C)cn2)C(N)=O)cs1.Cl
InChIInChI=1S/C12H17N5OS.ClH/c1-8-16-10(6-19-8)4-14-11(12(13)18)3-9-5-17(2)7-15-9;/h5-7,11,14H,3-4H2,1-2H3,(H2,13,18);1H
InChIKeyUMSZBPYZMMMKKM-UHFFFAOYSA-N
MW315.83 g/mol
LogP0.79
Rot. Bonds6

About 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride

3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride (PubChem CID 67557079) has the molecular formula C12H18ClN5OS and a molecular weight of 315.83 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride
PubChem CID67557079
Molecular FormulaC12H18ClN5OS
Molecular Weight315.83 g/mol
Exact Mass315.09
IUPAC Name3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride
SMILESCc1nc(CNC(Cc2cn(C)cn2)C(N)=O)cs1.Cl
InChIInChI=1S/C12H17N5OS.ClH/c1-8-16-10(6-19-8)4-14-11(12(13)18)3-9-5-17(2)7-15-9;/h5-7,11,14H,3-4H2,1-2H3,(H2,13,18);1H
InChIKeyUMSZBPYZMMMKKM-UHFFFAOYSA-N
XLogP0.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride?
The IUPAC name of 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride (CID 67557079) is 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride?
The canonical SMILES for 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride is Cc1nc(CNC(Cc2cn(C)cn2)C(N)=O)cs1.Cl.
What is the InChIKey of 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride?
The InChIKey is UMSZBPYZMMMKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS.ClH/c1-8-16-10(6-19-8)4-14-11(12(13)18)3-9-5-17(2)7-15-9;/h5-7,11,14H,3-4H2,1-2H3,(H2,13,18);1H.
What are the key properties of 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride?
3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide;hydrochloride is sourced from PubChem (CID 67557079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).