6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

C15H16N4O2S — CID 167799143

IUPAC6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(NC4CCCNC4)n3)cc2o1
InChIInChI=1S/C15H16N4O2S/c20-15-19-11-4-3-9(6-13(11)21-15)12-8-22-14(18-12)17-10-2-1-5-16-7-10/h3-4,6,8,10,16H,1-2,5,7H2,(H,17,18)(H,19,20)
InChIKeyIMRQZOZXCGMJJH-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.41
Rot. Bonds3

About 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 167799143) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
PubChem CID167799143
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(NC4CCCNC4)n3)cc2o1
InChIInChI=1S/C15H16N4O2S/c20-15-19-11-4-3-9(6-13(11)21-15)12-8-22-14(18-12)17-10-2-1-5-16-7-10/h3-4,6,8,10,16H,1-2,5,7H2,(H,17,18)(H,19,20)
InChIKeyIMRQZOZXCGMJJH-UHFFFAOYSA-N
XLogP2.41
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (CID 167799143) is 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(-c3csc(NC4CCCNC4)n3)cc2o1.
What is the InChIKey of 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is IMRQZOZXCGMJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-15-19-11-4-3-9(6-13(11)21-15)12-8-22-14(18-12)17-10-2-1-5-16-7-10/h3-4,6,8,10,16H,1-2,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 316.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 167799143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).