3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide

C11H16N4O2S — CID 79401067

IUPAC3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
SMILESNc1nc(CC(=O)NCCC(=O)NC2CC2)cs1
InChIInChI=1S/C11H16N4O2S/c12-11-15-8(6-18-11)5-10(17)13-4-3-9(16)14-7-1-2-7/h6-7H,1-5H2,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyYSJKXKSZWQHAJO-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.05
Rot. Bonds6

About 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide (PubChem CID 79401067) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
PubChem CID79401067
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
SMILESNc1nc(CC(=O)NCCC(=O)NC2CC2)cs1
InChIInChI=1S/C11H16N4O2S/c12-11-15-8(6-18-11)5-10(17)13-4-3-9(16)14-7-1-2-7/h6-7H,1-5H2,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyYSJKXKSZWQHAJO-UHFFFAOYSA-N
XLogP0.05
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-(2-cyclopentyloxyethyl)acetamide
CID 63827928
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 62799943
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106325273
2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide
CID 62797681

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide (CID 79401067) is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide is Nc1nc(CC(=O)NCCC(=O)NC2CC2)cs1.
What is the InChIKey of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide?
The InChIKey is YSJKXKSZWQHAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-11-15-8(6-18-11)5-10(17)13-4-3-9(16)14-7-1-2-7/h6-7H,1-5H2,(H2,12,15)(H,13,17)(H,14,16).
What are the key properties of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide?
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide has a molecular weight of 268.34 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79401067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).