2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C18H17N5O2S — CID 70755706

IUPAC2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCCc3nc4c(s3)CCC4)n2)c1
InChIInChI=1S/C18H17N5O2S/c24-17(25)11-4-7-19-14(10-11)12-5-8-20-18(23-12)21-9-6-16-22-13-2-1-3-15(13)26-16/h4-5,7-8,10H,1-3,6,9H2,(H,24,25)(H,20,21,23)
InChIKeyBHTMGDSSZYHKRK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.84
Rot. Bonds6

About 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70755706) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70755706
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCCc3nc4c(s3)CCC4)n2)c1
InChIInChI=1S/C18H17N5O2S/c24-17(25)11-4-7-19-14(10-11)12-5-8-20-18(23-12)21-9-6-16-22-13-2-1-3-15(13)26-16/h4-5,7-8,10H,1-3,6,9H2,(H,24,25)(H,20,21,23)
InChIKeyBHTMGDSSZYHKRK-UHFFFAOYSA-N
XLogP2.84
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70755706) is 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(NCCc3nc4c(s3)CCC4)n2)c1.
What is the InChIKey of 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is BHTMGDSSZYHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-17(25)11-4-7-19-14(10-11)12-5-8-20-18(23-12)21-9-6-16-22-13-2-1-3-15(13)26-16/h4-5,7-8,10H,1-3,6,9H2,(H,24,25)(H,20,21,23).
What are the key properties of 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 367.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70755706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).