N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide

C9H10N4OS — CID 110467928

IUPACN-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1nccs1
InChIInChI=1S/C9H10N4OS/c1-13-4-2-10-7(13)6-12-8(14)9-11-3-5-15-9/h2-5H,6H2,1H3,(H,12,14)
InChIKeyYDEIDZVFMFCCCC-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.81
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide (PubChem CID 110467928) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
PubChem CID110467928
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1nccs1
InChIInChI=1S/C9H10N4OS/c1-13-4-2-10-7(13)6-12-8(14)9-11-3-5-15-9/h2-5H,6H2,1H3,(H,12,14)
InChIKeyYDEIDZVFMFCCCC-UHFFFAOYSA-N
XLogP0.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63293629
5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 78950124
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63294452
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide (CID 110467928) is N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide is Cn1ccnc1CNC(=O)c1nccs1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YDEIDZVFMFCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-13-4-2-10-7(13)6-12-8(14)9-11-3-5-15-9/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110467928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).