2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide

C14H17N5OS — CID 79843560

IUPAC2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide
SMILESNC1(CC(=O)Nc2ccc(Sc3ncn[nH]3)cc2)CCC1
InChIInChI=1S/C14H17N5OS/c15-14(6-1-7-14)8-12(20)18-10-2-4-11(5-3-10)21-13-16-9-17-19-13/h2-5,9H,1,6-8,15H2,(H,18,20)(H,16,17,19)
InChIKeyRKRGXYSVXKAXLA-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.17
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide

2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide (PubChem CID 79843560) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide
PubChem CID79843560
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide
SMILESNC1(CC(=O)Nc2ccc(Sc3ncn[nH]3)cc2)CCC1
InChIInChI=1S/C14H17N5OS/c15-14(6-1-7-14)8-12(20)18-10-2-4-11(5-3-10)21-13-16-9-17-19-13/h2-5,9H,1,6-8,15H2,(H,18,20)(H,16,17,19)
InChIKeyRKRGXYSVXKAXLA-UHFFFAOYSA-N
XLogP2.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 113385200
2-amino-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 43712450
(2R)-2-amino-3,3-dimethyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butanamide
CID 103928924
(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104913128
2-methoxy-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 115588518
2-(ethylamino)-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]propanamide
CID 62831973
(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
CID 81118211
5-amino-2-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide
CID 104684120
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]thiophene-2-carboxamide
CID 60779860
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide (CID 79843560) is 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide is NC1(CC(=O)Nc2ccc(Sc3ncn[nH]3)cc2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide?
The InChIKey is RKRGXYSVXKAXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c15-14(6-1-7-14)8-12(20)18-10-2-4-11(5-3-10)21-13-16-9-17-19-13/h2-5,9H,1,6-8,15H2,(H,18,20)(H,16,17,19).
What are the key properties of 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide?
2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 79843560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).