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

C14H20N4OS2 — CID 131951418

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)c1csc(CCNC(=O)CCc2csc(N)n2)n1
InChIInChI=1S/C14H20N4OS2/c1-9(2)11-8-20-13(18-11)5-6-16-12(19)4-3-10-7-21-14(15)17-10/h7-9H,3-6H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyZFCAOKUHWGHIOT-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.60
Rot. Bonds7

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

3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 131951418) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID131951418
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)c1csc(CCNC(=O)CCc2csc(N)n2)n1
InChIInChI=1S/C14H20N4OS2/c1-9(2)11-8-20-13(18-11)5-6-16-12(19)4-3-10-7-21-14(15)17-10/h7-9H,3-6H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyZFCAOKUHWGHIOT-UHFFFAOYSA-N
XLogP2.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
N-(3-methylbutyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649255
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 110330138
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
CID 91785606
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide (CID 131951418) is 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide is CC(C)c1csc(CCNC(=O)CCc2csc(N)n2)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is ZFCAOKUHWGHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-9(2)11-8-20-13(18-11)5-6-16-12(19)4-3-10-7-21-14(15)17-10/h7-9H,3-6H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 324.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 131951418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).