[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol

C12H16N4OS — CID 66553066

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol
SMILESCC(C)Nc1nc(N)c(C(O)c2cccnc2)s1
InChIInChI=1S/C12H16N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7,9,17H,13H2,1-2H3,(H,15,16)
InChIKeyZRZYHLKDUROTHI-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.02
Rot. Bonds4

About [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol (PubChem CID 66553066) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol
PubChem CID66553066
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol
SMILESCC(C)Nc1nc(N)c(C(O)c2cccnc2)s1
InChIInChI=1S/C12H16N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7,9,17H,13H2,1-2H3,(H,15,16)
InChIKeyZRZYHLKDUROTHI-UHFFFAOYSA-N
XLogP2.02
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol (CID 66553066) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol is CC(C)Nc1nc(N)c(C(O)c2cccnc2)s1.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol?
The InChIKey is ZRZYHLKDUROTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)15-12-16-11(13)10(18-12)9(17)8-4-3-5-14-6-8/h3-7,9,17H,13H2,1-2H3,(H,15,16).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol has a molecular weight of 264.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 66553066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).