3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

C13H20N6OS — CID 70755413

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CCc1csc(N)n1
InChIInChI=1S/C13H20N6OS/c1-9(2)19-8-15-17-11(19)6-18(3)12(20)5-4-10-7-21-13(14)16-10/h7-9H,4-6H2,1-3H3,(H2,14,16)
InChIKeyMWLCOQAMOGXKNI-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.49
Rot. Bonds6

About 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 70755413) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID70755413
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CCc1csc(N)n1
InChIInChI=1S/C13H20N6OS/c1-9(2)19-8-15-17-11(19)6-18(3)12(20)5-4-10-7-21-13(14)16-10/h7-9H,4-6H2,1-3H3,(H2,14,16)
InChIKeyMWLCOQAMOGXKNI-UHFFFAOYSA-N
XLogP1.49
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide (CID 70755413) is 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)n1cnnc1CN(C)C(=O)CCc1csc(N)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is MWLCOQAMOGXKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-9(2)19-8-15-17-11(19)6-18(3)12(20)5-4-10-7-21-13(14)16-10/h7-9H,4-6H2,1-3H3,(H2,14,16).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 308.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 70755413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).