2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C11H14N6OS — CID 66194189

IUPAC2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(CNC2CC2)nn1)Nc1nccs1
InChIInChI=1S/C11H14N6OS/c18-10(14-11-12-3-4-19-11)7-17-6-9(15-16-17)5-13-8-1-2-8/h3-4,6,8,13H,1-2,5,7H2,(H,12,14,18)
InChIKeyQYDHVVKKJUEMKK-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.63
Rot. Bonds6

About 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 66194189) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID66194189
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(CNC2CC2)nn1)Nc1nccs1
InChIInChI=1S/C11H14N6OS/c18-10(14-11-12-3-4-19-11)7-17-6-9(15-16-17)5-13-8-1-2-8/h3-4,6,8,13H,1-2,5,7H2,(H,12,14,18)
InChIKeyQYDHVVKKJUEMKK-UHFFFAOYSA-N
XLogP0.63
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 97879576
2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 45493436
2-(4-aminopyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 43445143
2-(4-aminopyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43445240
1-methyl-N-(5-methylthiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
CID 49712419
3-{[(1-ethyl-1H-imidazol-5-yl)methyl]amino}-N-1,3-thiazol-2-ylpropanamide
CID 50949946
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-(triazol-1-yl)propanamide
CID 60804076
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62053645
2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 62053809
2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62054490
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62054638
2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 62400548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 66194189) is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(CNC2CC2)nn1)Nc1nccs1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QYDHVVKKJUEMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c18-10(14-11-12-3-4-19-11)7-17-6-9(15-16-17)5-13-8-1-2-8/h3-4,6,8,13H,1-2,5,7H2,(H,12,14,18).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 278.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 66194189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).