1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C14H13N5O2S — CID 119105910

IUPAC1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCc2nccnc2-c2ccco2)s1
InChIInChI=1S/C14H13N5O2S/c1-9-7-18-14(22-9)19-13(20)17-8-10-12(16-5-4-15-10)11-3-2-6-21-11/h2-7H,8H2,1H3,(H2,17,18,19,20)
InChIKeySCAIKRVODUPZAI-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.82
Rot. Bonds4

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

1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 119105910) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID119105910
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NCc2nccnc2-c2ccco2)s1
InChIInChI=1S/C14H13N5O2S/c1-9-7-18-14(22-9)19-13(20)17-8-10-12(16-5-4-15-10)11-3-2-6-21-11/h2-7H,8H2,1H3,(H2,17,18,19,20)
InChIKeySCAIKRVODUPZAI-UHFFFAOYSA-N
XLogP2.82
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
CID 121199004
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 111473250
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 119105901
2-(1-adamantyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]acetamide
CID 121198813
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 121023148
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 119105910) is 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NCc2nccnc2-c2ccco2)s1.
What is the InChIKey of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is SCAIKRVODUPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-9-7-18-14(22-9)19-13(20)17-8-10-12(16-5-4-15-10)11-3-2-6-21-11/h2-7H,8H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 315.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 119105910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).