N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

C11H14N4OS2 — CID 125444590

IUPACN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N[C@H](C)c2ncc(C)[nH]2)cs1
InChIInChI=1S/C11H14N4OS2/c1-6-4-12-9(13-6)7(2)14-10(16)8-5-18-11(15-8)17-3/h4-5,7H,1-3H3,(H,12,13)(H,14,16)/t7-/m1/s1
InChIKeyLFLBBKXIVTUHNZ-SSDOTTSWSA-N
MW282.39 g/mol
LogP2.39
Rot. Bonds4

About N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 125444590) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
PubChem CID125444590
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N[C@H](C)c2ncc(C)[nH]2)cs1
InChIInChI=1S/C11H14N4OS2/c1-6-4-12-9(13-6)7(2)14-10(16)8-5-18-11(15-8)17-3/h4-5,7H,1-3H3,(H,12,13)(H,14,16)/t7-/m1/s1
InChIKeyLFLBBKXIVTUHNZ-SSDOTTSWSA-N
XLogP2.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-methylsulfanyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 136883270
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312
6-amino-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 122572343
4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126450169
1,6-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 126435307
4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126439244
N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 89470086
ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106283542
2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 99949923
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 91794714
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 119067241

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (CID 125444590) is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)N[C@H](C)c2ncc(C)[nH]2)cs1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is LFLBBKXIVTUHNZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-6-4-12-9(13-6)7(2)14-10(16)8-5-18-11(15-8)17-3/h4-5,7H,1-3H3,(H,12,13)(H,14,16)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125444590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).