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

C11H13N5O2S — CID 11778366

IUPACN-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C11H13N5O2S/c1-6(17)14-4-7-2-3-9(18-7)8-5-19-11(15-8)16-10(12)13/h2-3,5H,4H2,1H3,(H,14,17)(H4,12,13,15,16)
InChIKeyUGINCONQULSMSB-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.94
Rot. Bonds4

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

N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 11778366) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID11778366
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC NameN-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(N=C(N)N)n2)o1
InChIInChI=1S/C11H13N5O2S/c1-6(17)14-4-7-2-3-9(18-7)8-5-19-11(15-8)16-10(12)13/h2-3,5H,4H2,1H3,(H,14,17)(H4,12,13,15,16)
InChIKeyUGINCONQULSMSB-UHFFFAOYSA-N
XLogP0.94
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.94
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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Related Compounds

4-(Furan-2-yl)-1,3-thiazol-2-amine
CID 727834
3-fluoro-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
CID 9166003
N-{[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl}acetamide
CID 7064095
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
5-(2-Amino-5-(propylthio)thiazol-4-yl)furan-2-ylphosphonic acid
CID 20737672
2-Amino-5-isopropylthio-4-[2-(5-phosphono)furanyl]thiazole
CID 50992872
2-Amino-5-ethylthio-4-[2-(5-phosphono)furanyl]thiazole
CID 50993606
2-Amino-5-methyl-4-[2-(5-phosphono)furanyl]thiazole
CID 53324367
Pyrimidine-4-carboxamide, 123
CID 44520986
4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
CID 2091972
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[1-(furan-2-yl)ethyl]urea
CID 164609493

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 11778366) is N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(N=C(N)N)n2)o1.
What is the InChIKey of N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is UGINCONQULSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-6(17)14-4-7-2-3-9(18-7)8-5-19-11(15-8)16-10(12)13/h2-3,5H,4H2,1H3,(H,14,17)(H4,12,13,15,16).
What are the key properties of N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 279.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 11778366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).