4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol

C12H16N4OS — CID 103359777

IUPAC4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol
SMILESCC(O)CCNc1snc(N)c1-c1ccncc1
InChIInChI=1S/C12H16N4OS/c1-8(17)2-7-15-12-10(11(13)16-18-12)9-3-5-14-6-4-9/h3-6,8,15,17H,2,7H2,1H3,(H2,13,16)
InChIKeyUTYLQDVHZKQCJA-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.97
Rot. Bonds5

About 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol

4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol (PubChem CID 103359777) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol
PubChem CID103359777
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol
SMILESCC(O)CCNc1snc(N)c1-c1ccncc1
InChIInChI=1S/C12H16N4OS/c1-8(17)2-7-15-12-10(11(13)16-18-12)9-3-5-14-6-4-9/h3-6,8,15,17H,2,7H2,1H3,(H2,13,16)
InChIKeyUTYLQDVHZKQCJA-UHFFFAOYSA-N
XLogP1.97
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol?
The IUPAC name of 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol (CID 103359777) is 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol is CC(O)CCNc1snc(N)c1-c1ccncc1.
What is the InChIKey of 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol?
The InChIKey is UTYLQDVHZKQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(17)2-7-15-12-10(11(13)16-18-12)9-3-5-14-6-4-9/h3-6,8,15,17H,2,7H2,1H3,(H2,13,16).
What are the key properties of 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol?
4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol has a molecular weight of 264.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 103359777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).