4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine

C14H14BrN3S — CID 834544

IUPAC4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C14H14BrN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
InChIKeyRQZSGEFNQZWBDM-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.91
Rot. Bonds3

About 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine (PubChem CID 834544) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine
PubChem CID834544
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(NN=C3CCCC3)n2)cc1
InChIInChI=1S/C14H14BrN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
InChIKeyRQZSGEFNQZWBDM-UHFFFAOYSA-N
XLogP4.91
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine (CID 834544) is 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine is Brc1ccc(-c2csc(NN=C3CCCC3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine?
The InChIKey is RQZSGEFNQZWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18).
What are the key properties of 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine has a molecular weight of 336.26 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 834544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).