N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C11H14N4OS2 — CID 75456632

IUPACN-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSCc2ccn(C)n2)cs1
InChIInChI=1S/C11H14N4OS2/c1-8(16)12-11-13-10(7-18-11)6-17-5-9-3-4-15(2)14-9/h3-4,7H,5-6H2,1-2H3,(H,12,13,16)
InChIKeyMWBYIAMQJDLDMS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.27
Rot. Bonds5

About N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 75456632) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID75456632
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC NameN-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSCc2ccn(C)n2)cs1
InChIInChI=1S/C11H14N4OS2/c1-8(16)12-11-13-10(7-18-11)6-17-5-9-3-4-15(2)14-9/h3-4,7H,5-6H2,1-2H3,(H,12,13,16)
InChIKeyMWBYIAMQJDLDMS-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 66233966
3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-2-aminopropanoic acid
CID 43414247
N-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112777799
N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29437348
N-[4-[(2-amino-2-oxoethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-2-chloropropanamide
CID 16820645
ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488356
N-[4-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 51096550
N-[4-[(4-amino-3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 79140742
N-[4-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 43304111
2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 26435129
N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 134104628

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 75456632) is N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CSCc2ccn(C)n2)cs1.
What is the InChIKey of N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MWBYIAMQJDLDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-8(16)12-11-13-10(7-18-11)6-17-5-9-3-4-15(2)14-9/h3-4,7H,5-6H2,1-2H3,(H,12,13,16).
What are the key properties of N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylpyrazol-3-yl)methylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 75456632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).