2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine

C10H13N7S — CID 140639559

IUPAC2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1sc(-c2ccn[nH]2)nc1C
InChIInChI=1S/C10H13N7S/c1-5-8(6(2)15-17-10(11)12)18-9(14-5)7-3-4-13-16-7/h3-4H,1-2H3,(H,13,16)(H4,11,12,17)
InChIKeyHYGFZVQJYBCGBD-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.84
Rot. Bonds3

About 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine

2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (PubChem CID 140639559) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
PubChem CID140639559
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1sc(-c2ccn[nH]2)nc1C
InChIInChI=1S/C10H13N7S/c1-5-8(6(2)15-17-10(11)12)18-9(14-5)7-3-4-13-16-7/h3-4H,1-2H3,(H,13,16)(H4,11,12,17)
InChIKeyHYGFZVQJYBCGBD-UHFFFAOYSA-N
XLogP0.84
TPSA118.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.84
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155549560
2-[1-[2-(3-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 171396657
2-[(E)-1-[4-methyl-2-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155556741
2-[1-[2-[3-[(2,3-difluorophenyl)methylideneamino]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 169086252
2-[(E)-1-[4-methyl-2-[4-[5-(1,3-thiazolidin-3-yl)pentoxy]phenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155532618
4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 1480004
2-[(E)-1-[2-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)butoxy]phenyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155521973
4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 96593089
2-[1-[2-[2-[[4-(4-methoxyphenyl)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 156787895
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 2805447
2-[(E)-1-(5-methyl-1H-pyrazol-4-yl)ethylideneamino]guanidine
CID 135573632
[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 14612310

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine (CID 140639559) is 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is CC(=NN=C(N)N)c1sc(-c2ccn[nH]2)nc1C.
What is the InChIKey of 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
The InChIKey is HYGFZVQJYBCGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-5-8(6(2)15-17-10(11)12)18-9(14-5)7-3-4-13-16-7/h3-4H,1-2H3,(H,13,16)(H4,11,12,17).
What are the key properties of 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine?
2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine has a molecular weight of 263.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 140639559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).