N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H16N6OS2 — CID 91785409

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NCCCc2csc(N)n2)n[nH]1
InChIInChI=1S/C11H16N6OS2/c1-7-14-11(17-16-7)20-6-9(18)13-4-2-3-8-5-19-10(12)15-8/h5H,2-4,6H2,1H3,(H2,12,15)(H,13,18)(H,14,16,17)
InChIKeyPHOKTYSOOJYWNM-UHFFFAOYSA-N
MW312.42 g/mol
LogP0.99
Rot. Bonds7

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 91785409) has the molecular formula C11H16N6OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID91785409
Molecular FormulaC11H16N6OS2
Molecular Weight312.42 g/mol
Exact Mass312.08
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NCCCc2csc(N)n2)n[nH]1
InChIInChI=1S/C11H16N6OS2/c1-7-14-11(17-16-7)20-6-9(18)13-4-2-3-8-5-19-10(12)15-8/h5H,2-4,6H2,1H3,(H2,12,15)(H,13,18)(H,14,16,17)
InChIKeyPHOKTYSOOJYWNM-UHFFFAOYSA-N
XLogP0.99
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutyl)acetamide
CID 35814934
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2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
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N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42092226
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
N-[(3-ethylthiophen-2-yl)methyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 71856442
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 91792961
(2R)-2-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-3-methylsulfanylbutanamide;dihydrochloride
CID 163340668
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
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CID 131889869
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 91785409) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)NCCCc2csc(N)n2)n[nH]1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PHOKTYSOOJYWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS2/c1-7-14-11(17-16-7)20-6-9(18)13-4-2-3-8-5-19-10(12)15-8/h5H,2-4,6H2,1H3,(H2,12,15)(H,13,18)(H,14,16,17).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 91785409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).