N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide

C11H18N4OS — CID 54866384

IUPACN-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC2CCSCC2)cn1
InChIInChI=1S/C11H18N4OS/c1-12-11(16)8-15-7-10(6-13-15)14-9-2-4-17-5-3-9/h6-7,9,14H,2-5,8H2,1H3,(H,12,16)
InChIKeyBYJYOARRYVVCHX-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.94
Rot. Bonds4

About N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide

N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide (PubChem CID 54866384) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
PubChem CID54866384
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NC2CCSCC2)cn1
InChIInChI=1S/C11H18N4OS/c1-12-11(16)8-15-7-10(6-13-15)14-9-2-4-17-5-3-9/h6-7,9,14H,2-5,8H2,1H3,(H,12,16)
InChIKeyBYJYOARRYVVCHX-UHFFFAOYSA-N
XLogP0.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 79730983
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932315
2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 54866416
N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
CID 64756991
2-[4-[(2-ethyl-2-methylcyclopentyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 131962116
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
1-tert-butyl-N-(thian-4-yl)pyrazol-4-amine
CID 115777699
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 106637998
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932180
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
2-[4-[(1-acetylpiperidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 43783533

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide (CID 54866384) is N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NC2CCSCC2)cn1.
What is the InChIKey of N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is BYJYOARRYVVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-12-11(16)8-15-7-10(6-13-15)14-9-2-4-17-5-3-9/h6-7,9,14H,2-5,8H2,1H3,(H,12,16).
What are the key properties of N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 254.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 54866384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).