2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide

C8H13N3OS — CID 171049213

IUPAC2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(N)cs1
InChIInChI=1S/C8H13N3OS/c1-5(2)10-7(12)3-8-11-6(9)4-13-8/h4-5H,3,9H2,1-2H3,(H,10,12)
InChIKeyCPLIDSGAYJUPKC-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.79
Rot. Bonds3

About 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide

2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide (PubChem CID 171049213) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
PubChem CID171049213
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(N)cs1
InChIInChI=1S/C8H13N3OS/c1-5(2)10-7(12)3-8-11-6(9)4-13-8/h4-5H,3,9H2,1-2H3,(H,10,12)
InChIKeyCPLIDSGAYJUPKC-UHFFFAOYSA-N
XLogP0.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
CID 171049245
2-(4-amino-1,3-thiazol-2-yl)acetamide
CID 130787595
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylpentan-2-yl)acetamide
CID 43372505
N-propan-2-yl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342044
(4-amino-1,3-thiazol-2-yl)methanol
CID 18533370
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-hexan-2-ylacetamide
CID 62199892
2-(5-fluoro-1,3-thiazol-2-yl)-N-propan-2-ylacetamide;molecular hydrogen
CID 176998842
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 82115304
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793217
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide (CID 171049213) is 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1nc(N)cs1.
What is the InChIKey of 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
The InChIKey is CPLIDSGAYJUPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)10-7(12)3-8-11-6(9)4-13-8/h4-5H,3,9H2,1-2H3,(H,10,12).
What are the key properties of 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide?
2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide has a molecular weight of 199.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 171049213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).