2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

C15H17N5OS — CID 90650982

IUPAC2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1ncsc1CCCNC(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C15H17N5OS/c1-11-14(22-10-17-11)7-4-8-16-15(21)9-20-18-12-5-2-3-6-13(12)19-20/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,21)
InChIKeyYSOVRLRXTJTIDV-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.95
Rot. Bonds6

About 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (PubChem CID 90650982) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
PubChem CID90650982
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1ncsc1CCCNC(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C15H17N5OS/c1-11-14(22-10-17-11)7-4-8-16-15(21)9-20-18-12-5-2-3-6-13(12)19-20/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,21)
InChIKeyYSOVRLRXTJTIDV-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide
CID 156907065
ALP-POS-87c86d55-2
CID 156907066
N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72886124
N~2~-(1H-benzotriazol-1-ylacetyl)-N-[4-(dimethylamino)phenyl]-N~2~-[(4-phenyl-1,3-thiazol-2-yl)methyl]glycinamide
CID 1497852
2-(benzotriazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 47139265
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-((2-(2-fluorophenyl)-4-methylthiazol-5-yl)methyl)acetamide
CID 71795543
3-(benzotriazol-1-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1,3-thiazol-5-yl]propanamide
CID 71082027
N-(1,3-benzothiazol-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 38136294
3-(benzotriazol-1-yl)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 166294863
2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 16295780
N-[(2S)-1-(benzotriazol-1-yl)-3-methylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16671464
N-[(2R)-1-(benzotriazol-1-yl)-3-methylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 16671513

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (CID 90650982) is 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is Cc1ncsc1CCCNC(=O)Cn1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The InChIKey is YSOVRLRXTJTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11-14(22-10-17-11)7-4-8-16-15(21)9-20-18-12-5-2-3-6-13(12)19-20/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,21).
What are the key properties of 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 90650982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).