N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide

C14H21N5OS — CID 66194530

IUPACN-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(C)NCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C14H21N5OS/c1-11(2)15-6-13-8-19(17-16-13)9-14(20)18(3)7-12-4-5-21-10-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyQILZKFUFWKZDQD-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.50
Rot. Bonds7

About N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 66194530) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID66194530
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(C)NCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C14H21N5OS/c1-11(2)15-6-13-8-19(17-16-13)9-14(20)18(3)7-12-4-5-21-10-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyQILZKFUFWKZDQD-UHFFFAOYSA-N
XLogP1.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 66194530) is N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is CC(C)NCc1cn(CC(=O)N(C)Cc2ccsc2)nn1.
What is the InChIKey of N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is QILZKFUFWKZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-11(2)15-6-13-8-19(17-16-13)9-14(20)18(3)7-12-4-5-21-10-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3.
What are the key properties of N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 66194530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).