1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C13H17N5O2S — CID 75505356

IUPAC1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(C(C)CNC(=O)Nc2nccn(C)c2=O)n1
InChIInChI=1S/C13H17N5O2S/c1-8(11-16-9(2)7-21-11)6-15-13(20)17-10-12(19)18(3)5-4-14-10/h4-5,7-8H,6H2,1-3H3,(H2,14,15,17,20)
InChIKeyQPVVFZMIIMHKIR-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.47
Rot. Bonds4

About 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75505356) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75505356
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1csc(C(C)CNC(=O)Nc2nccn(C)c2=O)n1
InChIInChI=1S/C13H17N5O2S/c1-8(11-16-9(2)7-21-11)6-15-13(20)17-10-12(19)18(3)5-4-14-10/h4-5,7-8H,6H2,1-3H3,(H2,14,15,17,20)
InChIKeyQPVVFZMIIMHKIR-UHFFFAOYSA-N
XLogP1.47
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
1-(1-tert-butylpyrazol-4-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505131
1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505217
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide
CID 126444931
1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505155
2-tert-butyl-N-(4-methyl-3-oxopyrazin-2-yl)-1,3-thiazole-4-carboxamide
CID 136513774
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
CID 75477546

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75505356) is 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1csc(C(C)CNC(=O)Nc2nccn(C)c2=O)n1.
What is the InChIKey of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is QPVVFZMIIMHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8(11-16-9(2)7-21-11)6-15-13(20)17-10-12(19)18(3)5-4-14-10/h4-5,7-8H,6H2,1-3H3,(H2,14,15,17,20).
What are the key properties of 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 307.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75505356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).