4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine

C9H9N5S — CID 58477483

IUPAC4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine
SMILES[C-]#[N+]c1nn(C)cc1-c1csc(NC)n1
InChIInChI=1S/C9H9N5S/c1-10-8-6(4-14(3)13-8)7-5-15-9(11-2)12-7/h4-5H,2-3H3,(H,11,12)
InChIKeyIVZVRABMUZMOOL-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds2

About 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine

4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 58477483) has the molecular formula C9H9N5S and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID58477483
Molecular FormulaC9H9N5S
Molecular Weight219.27 g/mol
Exact Mass219.06
IUPAC Name4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine
SMILES[C-]#[N+]c1nn(C)cc1-c1csc(NC)n1
InChIInChI=1S/C9H9N5S/c1-10-8-6(4-14(3)13-8)7-5-15-9(11-2)12-7/h4-5H,2-3H3,(H,11,12)
InChIKeyIVZVRABMUZMOOL-UHFFFAOYSA-N
XLogP2.14
TPSA47.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 63931625
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
[2-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]methanol
CID 88788468
N-methyl-4-[2-[2-[2-[2-(methylamino)-1,3-thiazol-4-yl]phenoxy]ethoxy]phenyl]-1,3-thiazol-2-amine
CID 139228012
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-methyl-4-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 59363535
N-methyl-4-(3-methyltriazol-4-yl)-1,3-thiazol-2-amine
CID 130703189
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde
CID 144984103
[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
CID 65194289
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742

Frequently Asked Questions

What is the IUPAC name of 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine (CID 58477483) is 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine is [C-]#[N+]c1nn(C)cc1-c1csc(NC)n1.
What is the InChIKey of 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IVZVRABMUZMOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S/c1-10-8-6(4-14(3)13-8)7-5-15-9(11-2)12-7/h4-5H,2-3H3,(H,11,12).
What are the key properties of 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine?
4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 219.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isocyano-1-methylpyrazol-4-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58477483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).