N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

C15H22N4O3S — CID 86807815

IUPACN-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1nc2ccc(NC(CC)CO)nc2s1
InChIInChI=1S/C15H22N4O3S/c1-3-9(7-20)16-12-6-5-11-14(19-12)23-15(18-11)13(22)17-10(4-2)8-21/h5-6,9-10,20-21H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,22)
InChIKeyIWUFMQINNCATRU-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.37
Rot. Bonds8

About N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide

N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 86807815) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID86807815
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1nc2ccc(NC(CC)CO)nc2s1
InChIInChI=1S/C15H22N4O3S/c1-3-9(7-20)16-12-6-5-11-14(19-12)23-15(18-11)13(22)17-10(4-2)8-21/h5-6,9-10,20-21H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,22)
InChIKeyIWUFMQINNCATRU-UHFFFAOYSA-N
XLogP1.37
TPSA107.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide (CID 86807815) is N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is CCC(CO)NC(=O)c1nc2ccc(NC(CC)CO)nc2s1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is IWUFMQINNCATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-3-9(7-20)16-12-6-5-11-14(19-12)23-15(18-11)13(22)17-10(4-2)8-21/h5-6,9-10,20-21H,3-4,7-8H2,1-2H3,(H,16,19)(H,17,22).
What are the key properties of N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide?
N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-5-(1-hydroxybutan-2-ylamino)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 86807815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).