2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide

C8H14N4OS — CID 103253585

IUPAC2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
SMILESCC(NCC(N)C(N)=O)c1nccs1
InChIInChI=1S/C8H14N4OS/c1-5(8-11-2-3-14-8)12-4-6(9)7(10)13/h2-3,5-6,12H,4,9H2,1H3,(H2,10,13)
InChIKeyZFZHCXHYEBXCPL-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.39
Rot. Bonds5

About 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide

2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide (PubChem CID 103253585) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
PubChem CID103253585
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
SMILESCC(NCC(N)C(N)=O)c1nccs1
InChIInChI=1S/C8H14N4OS/c1-5(8-11-2-3-14-8)12-4-6(9)7(10)13/h2-3,5-6,12H,4,9H2,1H3,(H2,10,13)
InChIKeyZFZHCXHYEBXCPL-UHFFFAOYSA-N
XLogP-0.39
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 114172177
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]prop-2-enoic acid
CID 103253582
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
CID 114480389
2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
CID 64993003

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide (CID 103253585) is 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide is CC(NCC(N)C(N)=O)c1nccs1.
What is the InChIKey of 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide?
The InChIKey is ZFZHCXHYEBXCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(8-11-2-3-14-8)12-4-6(9)7(10)13/h2-3,5-6,12H,4,9H2,1H3,(H2,10,13).
What are the key properties of 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide?
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide has a molecular weight of 214.29 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide is sourced from PubChem (CID 103253585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).