2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide

C10H16N4OS — CID 103773704

IUPAC2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
SMILESCC(NC(=O)C1(C)CCCS1)c1ncn[nH]1
InChIInChI=1S/C10H16N4OS/c1-7(8-11-6-12-14-8)13-9(15)10(2)4-3-5-16-10/h6-7H,3-5H2,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyYAYWGTGPFVDHOR-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.27
Rot. Bonds3

About 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide (PubChem CID 103773704) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
PubChem CID103773704
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
SMILESCC(NC(=O)C1(C)CCCS1)c1ncn[nH]1
InChIInChI=1S/C10H16N4OS/c1-7(8-11-6-12-14-8)13-9(15)10(2)4-3-5-16-10/h6-7H,3-5H2,1-2H3,(H,13,15)(H,11,12,14)
InChIKeyYAYWGTGPFVDHOR-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 130162767
2-methyl-N-(1H-1,2,4-triazol-5-yl)thiolane-2-carboxamide
CID 81450532
2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide
CID 81450334
1-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 106281487
(3R,5R)-3,5-dimethyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide
CID 98357532
3-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 114168036
N-(1-chloropropan-2-yl)-2-methylthiolane-2-carboxamide
CID 114299643
N-(1-bromopropan-2-yl)-2-methylthiolane-2-carboxamide
CID 114310686
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103725791
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 103912454
1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106283288
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106283274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide (CID 103773704) is 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide is CC(NC(=O)C1(C)CCCS1)c1ncn[nH]1.
What is the InChIKey of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide?
The InChIKey is YAYWGTGPFVDHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(8-11-6-12-14-8)13-9(15)10(2)4-3-5-16-10/h6-7H,3-5H2,1-2H3,(H,13,15)(H,11,12,14).
What are the key properties of 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide?
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide is sourced from PubChem (CID 103773704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).