2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide

C13H24N4OS — CID 79661188

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCN(CC(=O)Nc1nccs1)CC(C)(C)CN
InChIInChI=1S/C13H24N4OS/c1-4-6-17(10-13(2,3)9-14)8-11(18)16-12-15-5-7-19-12/h5,7H,4,6,8-10,14H2,1-3H3,(H,15,16,18)
InChIKeyMBJFZXRKBONFBR-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.78
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 79661188) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID79661188
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCN(CC(=O)Nc1nccs1)CC(C)(C)CN
InChIInChI=1S/C13H24N4OS/c1-4-6-17(10-13(2,3)9-14)8-11(18)16-12-15-5-7-19-12/h5,7H,4,6,8-10,14H2,1-3H3,(H,15,16,18)
InChIKeyMBJFZXRKBONFBR-UHFFFAOYSA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
CID 79662404
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(3-cyanothiophen-2-yl)acetamide
CID 79665274
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258533
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-benzylacetamide
CID 79665033
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684
1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82508901
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide (CID 79661188) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide is CCCN(CC(=O)Nc1nccs1)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MBJFZXRKBONFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-6-17(10-13(2,3)9-14)8-11(18)16-12-15-5-7-19-12/h5,7H,4,6,8-10,14H2,1-3H3,(H,15,16,18).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 284.43 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 79661188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).