1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

C14H14N6OS — CID 71879361

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESO=C(NCc1cn2ccsc2n1)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C14H14N6OS/c21-13(17-7-11-8-20-3-4-22-14(20)19-11)18-10-5-15-12(16-6-10)9-1-2-9/h3-6,8-9H,1-2,7H2,(H2,17,18,21)
InChIKeyBWYHLCUBWFTBCS-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (PubChem CID 71879361) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
PubChem CID71879361
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESO=C(NCc1cn2ccsc2n1)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C14H14N6OS/c21-13(17-7-11-8-20-3-4-22-14(20)19-11)18-10-5-15-12(16-6-10)9-1-2-9/h3-6,8-9H,1-2,7H2,(H2,17,18,21)
InChIKeyBWYHLCUBWFTBCS-UHFFFAOYSA-N
XLogP2.38
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (CID 71879361) is 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is O=C(NCc1cn2ccsc2n1)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The InChIKey is BWYHLCUBWFTBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-13(17-7-11-8-20-3-4-22-14(20)19-11)18-10-5-15-12(16-6-10)9-1-2-9/h3-6,8-9H,1-2,7H2,(H2,17,18,21).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea has a molecular weight of 314.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is sourced from PubChem (CID 71879361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).