2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one

C12H14N4OS — CID 70071691

IUPAC2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one
SMILESNc1cc(CCC(N)C(=O)c2nccs2)ccn1
InChIInChI=1S/C12H14N4OS/c13-9(11(17)12-16-5-6-18-12)2-1-8-3-4-15-10(14)7-8/h3-7,9H,1-2,13H2,(H2,14,15)
InChIKeyHKVHMZFIIQOOBG-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.26
Rot. Bonds5

About 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one

2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one (PubChem CID 70071691) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one
PubChem CID70071691
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one
SMILESNc1cc(CCC(N)C(=O)c2nccs2)ccn1
InChIInChI=1S/C12H14N4OS/c13-9(11(17)12-16-5-6-18-12)2-1-8-3-4-15-10(14)7-8/h3-7,9H,1-2,13H2,(H2,14,15)
InChIKeyHKVHMZFIIQOOBG-UHFFFAOYSA-N
XLogP1.26
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
CID 116554635
2-amino-3-methyl-1-(1,3-thiazol-2-yl)butan-1-one
CID 19810433
4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 22063652
(2R)-2-amino-N-[(2S)-1-[(2-amino-4-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide;dihydrochloride
CID 156653750
4-(2-chloroethyl)pyridin-2-amine
CID 91610191
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
2-[(2-amino-2-oxoethyl)-[(2-amino-4-pyridinyl)methyl]amino]acetamide
CID 62923390
4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
CID 116555905
(2S)-2-amino-3-(1H-indol-3-yl)-1-(1,3-thiazol-2-yl)propan-1-one
CID 142648564
4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine
CID 64507434
2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
CID 67154487
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one (CID 70071691) is 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one is Nc1cc(CCC(N)C(=O)c2nccs2)ccn1.
What is the InChIKey of 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one?
The InChIKey is HKVHMZFIIQOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-9(11(17)12-16-5-6-18-12)2-1-8-3-4-15-10(14)7-8/h3-7,9H,1-2,13H2,(H2,14,15).
What are the key properties of 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one?
2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one has a molecular weight of 262.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-amino-4-pyridinyl)-1-(1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 70071691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).