2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide

C11H14N4OS — CID 110467553

IUPAC2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCc1csc(CCNC(=O)c2cnc(C)[nH]2)n1
InChIInChI=1S/C11H14N4OS/c1-7-6-17-10(14-7)3-4-12-11(16)9-5-13-8(2)15-9/h5-6H,3-4H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyYAUXIRNJAYDPMJ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide

2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 110467553) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID110467553
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCc1csc(CCNC(=O)c2cnc(C)[nH]2)n1
InChIInChI=1S/C11H14N4OS/c1-7-6-17-10(14-7)3-4-12-11(16)9-5-13-8(2)15-9/h5-6H,3-4H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyYAUXIRNJAYDPMJ-UHFFFAOYSA-N
XLogP1.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 104641287
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
5-cyano-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63716752
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 122565410
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63244971
2-fluoro-6-hydroxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 104916777

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide (CID 110467553) is 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide is Cc1csc(CCNC(=O)c2cnc(C)[nH]2)n1.
What is the InChIKey of 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is YAUXIRNJAYDPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-6-17-10(14-7)3-4-12-11(16)9-5-13-8(2)15-9/h5-6H,3-4H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide?
2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).