1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea

C18H18N6OS — CID 10133503

IUPAC1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea
SMILESO=C(Nc1cccc(N2CCCC2)n1)Nc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H18N6OS/c25-18(22-14-4-3-5-16(20-14)24-10-1-2-11-24)23-15-12-26-17(21-15)13-6-8-19-9-7-13/h3-9,12H,1-2,10-11H2,(H2,20,22,23,25)
InChIKeyKLSVLXLIZPIFGK-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.84
Rot. Bonds4

About 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea

1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea (PubChem CID 10133503) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea
PubChem CID10133503
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea
SMILESO=C(Nc1cccc(N2CCCC2)n1)Nc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H18N6OS/c25-18(22-14-4-3-5-16(20-14)24-10-1-2-11-24)23-15-12-26-17(21-15)13-6-8-19-9-7-13/h3-9,12H,1-2,10-11H2,(H2,20,22,23,25)
InChIKeyKLSVLXLIZPIFGK-UHFFFAOYSA-N
XLogP3.84
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea?
The IUPAC name of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea (CID 10133503) is 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea.
What is the SMILES notation for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea?
The canonical SMILES for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea is O=C(Nc1cccc(N2CCCC2)n1)Nc1csc(-c2ccncc2)n1.
What is the InChIKey of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea?
The InChIKey is KLSVLXLIZPIFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-18(22-14-4-3-5-16(20-14)24-10-1-2-11-24)23-15-12-26-17(21-15)13-6-8-19-9-7-13/h3-9,12H,1-2,10-11H2,(H2,20,22,23,25).
What are the key properties of 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea?
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea has a molecular weight of 366.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(6-pyrrolidin-1-yl-2-pyridinyl)urea is sourced from PubChem (CID 10133503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).