N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide

C12H16N4OS — CID 83137865

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
SMILESCn1ncc(C#N)c1NC(=O)CC1CCSCC1
InChIInChI=1S/C12H16N4OS/c1-16-12(10(7-13)8-14-16)15-11(17)6-9-2-4-18-5-3-9/h8-9H,2-6H2,1H3,(H,15,17)
InChIKeyNLDQEWMSPBDNDM-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.76
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide (PubChem CID 83137865) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
PubChem CID83137865
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
SMILESCn1ncc(C#N)c1NC(=O)CC1CCSCC1
InChIInChI=1S/C12H16N4OS/c1-16-12(10(7-13)8-14-16)15-11(17)6-9-2-4-18-5-3-9/h8-9H,2-6H2,1H3,(H,15,17)
InChIKeyNLDQEWMSPBDNDM-UHFFFAOYSA-N
XLogP1.76
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide
CID 79503570
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163607
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 80709860
N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide
CID 170775957
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 112723814
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
2-chloroethyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 108737063

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide (CID 83137865) is N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide is Cn1ncc(C#N)c1NC(=O)CC1CCSCC1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide?
The InChIKey is NLDQEWMSPBDNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16-12(10(7-13)8-14-16)15-11(17)6-9-2-4-18-5-3-9/h8-9H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83137865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).