N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C12H15N5O2S — CID 10541747

IUPACN-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C12H15N5O2S/c1-7(18)15-5-8-3-4-10(19-8)9-6-20-12(16-9)17-11(13)14-2/h3-4,6H,5H2,1-2H3,(H,15,18)(H3,13,14,16,17)
InChIKeyKYELKFNWHXKVPZ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.40
Rot. Bonds4

About N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10541747) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10541747
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESC/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
InChIInChI=1S/C12H15N5O2S/c1-7(18)15-5-8-3-4-10(19-8)9-6-20-12(16-9)17-11(13)14-2/h3-4,6H,5H2,1-2H3,(H,15,18)(H3,13,14,16,17)
InChIKeyKYELKFNWHXKVPZ-UHFFFAOYSA-N
XLogP1.40
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10541747) is N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is C/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1.
What is the InChIKey of N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is KYELKFNWHXKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7(18)15-5-8-3-4-10(19-8)9-6-20-12(16-9)17-11(13)14-2/h3-4,6H,5H2,1-2H3,(H,15,18)(H3,13,14,16,17).
What are the key properties of N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(N'-methylcarbamimidoyl)amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10541747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).