2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide

C9H15N3OS — CID 171049245

IUPAC2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(CN)cs1
InChIInChI=1S/C9H15N3OS/c1-6(2)11-8(13)3-9-12-7(4-10)5-14-9/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyHLLPIHFZPCJGMM-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.67
Rot. Bonds4

About 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide

2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide (PubChem CID 171049245) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
PubChem CID171049245
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1nc(CN)cs1
InChIInChI=1S/C9H15N3OS/c1-6(2)11-8(13)3-9-12-7(4-10)5-14-9/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyHLLPIHFZPCJGMM-UHFFFAOYSA-N
XLogP0.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
CID 171049213
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
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-hexan-2-ylacetamide
CID 62199892
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339
1-(4-ethyl-1,3-thiazol-2-yl)-3-methylbutan-2-one
CID 63199048
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 82115304
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 110450887
ethyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide (CID 171049245) is 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1nc(CN)cs1.
What is the InChIKey of 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide?
The InChIKey is HLLPIHFZPCJGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)11-8(13)3-9-12-7(4-10)5-14-9/h5-6H,3-4,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide?
2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide has a molecular weight of 213.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 171049245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).