1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea

C12H15N5OS — CID 164634536

IUPAC1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea
SMILESCc1cnc([C@H](C)NC(=O)NCc2cnccn2)s1
InChIInChI=1S/C12H15N5OS/c1-8-5-15-11(19-8)9(2)17-12(18)16-7-10-6-13-3-4-14-10/h3-6,9H,7H2,1-2H3,(H2,16,17,18)/t9-/m0/s1
InChIKeyYWFKEDAZPLMQOL-VIFPVBQESA-N
MW277.35 g/mol
LogP1.80
Rot. Bonds4

About 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea

1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea (PubChem CID 164634536) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea
PubChem CID164634536
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea
SMILESCc1cnc([C@H](C)NC(=O)NCc2cnccn2)s1
InChIInChI=1S/C12H15N5OS/c1-8-5-15-11(19-8)9(2)17-12(18)16-7-10-6-13-3-4-14-10/h3-6,9H,7H2,1-2H3,(H2,16,17,18)/t9-/m0/s1
InChIKeyYWFKEDAZPLMQOL-VIFPVBQESA-N
XLogP1.80
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea (CID 164634536) is 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea is Cc1cnc([C@H](C)NC(=O)NCc2cnccn2)s1.
What is the InChIKey of 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
The InChIKey is YWFKEDAZPLMQOL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-5-15-11(19-8)9(2)17-12(18)16-7-10-6-13-3-4-14-10/h3-6,9H,7H2,1-2H3,(H2,16,17,18)/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea has a molecular weight of 277.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 164634536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).