2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide

C10H15N3OS — CID 82548102

IUPAC2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
SMILESCC(N)c1nc(CC(=O)NC2CC2)cs1
InChIInChI=1S/C10H15N3OS/c1-6(11)10-13-8(5-15-10)4-9(14)12-7-2-3-7/h5-7H,2-4,11H2,1H3,(H,12,14)
InChIKeyPNNBWTARPPGUDS-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.98
Rot. Bonds4

About 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide (PubChem CID 82548102) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
PubChem CID82548102
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
SMILESCC(N)c1nc(CC(=O)NC2CC2)cs1
InChIInChI=1S/C10H15N3OS/c1-6(11)10-13-8(5-15-10)4-9(14)12-7-2-3-7/h5-7H,2-4,11H2,1H3,(H,12,14)
InChIKeyPNNBWTARPPGUDS-UHFFFAOYSA-N
XLogP0.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547666
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
N-(4-aminocyclohexyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119479070
2-(2-amino-1,3-thiazol-4-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 62797099
N-(4-hydroxycyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43389129
5-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]benzene-1,3-dicarboxylic acid
CID 110451029
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 82547658
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547664
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide (CID 82548102) is 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide is CC(N)c1nc(CC(=O)NC2CC2)cs1.
What is the InChIKey of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
The InChIKey is PNNBWTARPPGUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(11)10-13-8(5-15-10)4-9(14)12-7-2-3-7/h5-7H,2-4,11H2,1H3,(H,12,14).
What are the key properties of 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide has a molecular weight of 225.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 82548102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).