N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C15H15N5S — CID 168619376

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(Cn3ccnc3)cc2)n1
InChIInChI=1S/C15H15N5S/c1-12-10-21-15(18-12)19-17-8-13-2-4-14(5-3-13)9-20-7-6-16-11-20/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyFCKGICKCUUHFRZ-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.14
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168619376) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168619376
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(Cn3ccnc3)cc2)n1
InChIInChI=1S/C15H15N5S/c1-12-10-21-15(18-12)19-17-8-13-2-4-14(5-3-13)9-20-7-6-16-11-20/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKeyFCKGICKCUUHFRZ-UHFFFAOYSA-N
XLogP3.14
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168619376) is N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(Cn3ccnc3)cc2)n1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is FCKGICKCUUHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-12-10-21-15(18-12)19-17-8-13-2-4-14(5-3-13)9-20-7-6-16-11-20/h2-8,10-11H,9H2,1H3,(H,18,19).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168619376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).